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A closer look at the material.了解材料,细至参数
4-AA is a stereodefined, silyl-protected β-lactam building block for pharmaceutical intermediate research, including carbapenem-related development. Match the complete stereochemical identity and analytical conditions when comparing supply options.
4-AA 是具有明确立体构型的硅基保护 β-内酰胺砌块,用于医药中间体研究及碳青霉烯相关开发。比较供货方案时,应同时核对完整立体结构与检测条件
Stereodefined, protected β-lactam building block
构型明确的保护型β-内酰胺砌块
CAS 76855-69-117 technical parameters17 项技术参数
Chemical identity化学身份| Parameter参数 | Value参数值 |
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| CAS numberCAS 登记号 | 76855-69-176855-69-1 |
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| Molecular formula分子式 | C13H25NO4SiC13H25NO4Si |
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| Molecular weight分子量 | 287.43 g/mol287.43 g/mol |
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| EC numberEC 编号 | 408-050-9408-050-9 |
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| MDL numberMDL 编号 | MFCD00077636MFCD00077636 |
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| Stereochemistry: ring C3, C4; side-chain C1′立体构型:环 C3、C4;侧链 C1′ | (3R,4R); (1′R)(3R,4R); (1′R) |
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| InChIKeyInChIKey | GWHDKFODLYVMQG-UBHAPETDSA-NGWHDKFODLYVMQG-UBHAPETDSA-N |
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Technical parameters技术参数| Parameter参数 | Value参数值 | Condition / context条件 / 说明 |
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| Physical state物态 | Solid固体 | 20°C; TCI product data20°C;TCI 产品数据 |
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| Melting point熔点 | 108°C108°C | TCI product-page reference valueTCI 产品页参考值 |
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| Specific rotation [α]²⁰D比旋光度 [α]²⁰D | +51°+51° | Merck reference: c = 1, chloroform; 20°C, sodium D lineMerck 参考:c = 1,氯仿;20°C,钠 D 线 |
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Supplier example grade — confirm separately for procurement供应商示例等级——采购前需单独确认| Parameter参数 | Value参数值 | Method / grade context方法 / 等级说明 |
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| Purity — TCI A1124 reference纯度 — TCI A1124 参考 | ≥98.0%≥98.0% | Total nitrogen; external reference grade总氮法;外部参考等级 |
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| Appearance — TCI A1124 reference外观 — TCI A1124 参考 | White / near-white powder or crystals白色至类白色粉末或晶体 | Visual appearance; external reference grade外观描述;外部参考等级 |
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| Melting range — TCI A1124 reference熔程 — TCI A1124 参考 | 107.0–110.0°C107.0–110.0°C | Method not specified on product page产品页未注明检测方法 |
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| Specific rotation — TCI A1124 reference比旋光度 — TCI A1124 参考 | +53.0° to +59.0°+53.0° to +59.0° | [α]²⁰D; c = 0.5, toluene[α]²⁰D;c = 0.5,甲苯 |
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| Methanol solution clarity — TCI reference甲醇溶液澄清度 — TCI 参考 | Nearly clear接近澄清 | Qualitative criterion; concentration unspecified, not quantitative solubility定性指标;未注明浓度,不代表定量溶解度 |
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| Identity — TCI A1124 reference鉴别 — TCI A1124 参考 | Structure-consistent spectrum图谱与结构相符 | NMR; acquisition conditions not specifiedNMR;未注明采集条件 |
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| Assay — Merck 375845 reference含量 — Merck 375845 参考 | 98%98% | Method not stated; separate vendor reference grade未注明方法;独立供应商参考等级 |
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01Carbapenem-related intermediate development碳青霉烯相关中间体开发
4AA provides a protected azetidinone framework for carbapenem and other β-lactam research. Match its ring and side-chain configurations to the intermediate required by the selected route.
4AA为碳青霉烯及其他β-内酰胺研究提供受保护的氮杂环丁酮骨架。应将环上与侧链构型同所选路线需要的中间体对应。
02Stereochemical route evaluation立体化学路线评估
The ring and side-chain configurations form a single stereochemical specification. Include the full structure and protecting-group state when defining material for the next synthetic step.
环上构型、侧链构型及保护形式共同构成立体化学规格。为下一合成步骤选料时,应提供完整结构并逐项核对。
03Pharmaceutical research sourcing医药研发原料采购
A sample request should identify the protected building block, intended transformation and route-specific acceptance criteria. Agree the identity, stereoisomer and related-substance data needed for evaluation.
样品需求应注明保护型砌块的完整身份、目标转化和路线接受标准,并约定评价所需的身份、异构体及相关物质数据。
01Moisture and incompatibility control防潮与相容性管理
The TCI SDS calls for sealed, shaded storage under inert gas. Avoid moisture and oxidizing agents.
TCI SDS 要求密闭、避光并采用惰性气体保护;避免受潮及接触氧化剂。
02Confirm the selected grade’s temperature确认所选等级的储存温度
TCI recommends a cool, dark location below 15°C; Merck lists 2–8°C. Confirm the supplied grade’s current label and SDS before setting storage conditions.
TCI 建议低于 15°C 阴凉避光储存,Merck 标注 2–8°C。应以所供等级的现行标签与 SDS 确认储存条件。
03Handling hazards操作危害
TCI classifies eye irritation, skin sensitization and chronic aquatic hazard: H319, H317, H411. Control dust; use suitable gloves and eye protection; prevent environmental release.
TCI 标注眼刺激、皮肤致敏及慢性水生危害:H319、H317、H411。应控制粉尘,配戴适用手套及眼部防护,并避免环境释放。
04Transport reference运输分类参考
TCI’s SDS lists UN 3077, class 9, packing group III for ADR, IMDG and IATA. Shipment classification still depends on packaging, transport mode and destination requirements.
TCI SDS 对 ADR、IMDG、IATA 列示 UN 3077、第 9 类、包装类别 III。实际运输分类还需结合包装、运输方式及目的地要求确认。
01Specify the complete stereoisomer明确完整立体异构体
Include CAS 76855-69-1, the full stereochemical name and a structure drawing in the RFQ. Confirm that certificates describe the same protected compound.
询价时提供 CAS 76855-69-1、完整立体化学名称和结构式,并确认质量文件对应同一保护形式的化合物。
02Agree analytical methods约定分析方法
Ask for the proposed assay method and any chiral or diastereomeric impurity controls. Total-nitrogen purity is not interchangeable with chromatographic area purity.
索取拟采用的含量方法及手性或非对映异构杂质控制方案。总氮法纯度不能直接等同于色谱面积纯度。
03Compare rotation under matching conditions在一致条件下比较旋光度
Record solvent, concentration, temperature and wavelength. Results measured in toluene and chloroform should not be treated as the same acceptance range.
记录溶剂、浓度、温度与波长;甲苯和氯仿条件下的结果不应视为同一验收范围。
04Request a batch-specific package索取批次质量资料
Request the batch COA and current SDS, and agree water, residual-solvent and impurity limits together with packaging and storage conditions.
索取批次COA与现行SDS,约定水分、残留溶剂及杂质限度,并确认包装和储存条件。
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