18158-16-2

Basic information

• Product Name: 1-Cbz-[1,4]diazepan-5-one
• Synonyms: Benzyl 5-Oxo-1,4-diazepane-1-carboxylate;5-Oxo-[1,4]diazepane-1-carboxylic acid benzyl ester;1-Cbz-[1,4]diazepan-5-one;1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-oxo-, phenylmethyl ester
• CAS NO: 18158-16-2
• Molecular Formula: C₁₃H₁₆N₂O₃
• Molecular Weight: 248.28
• Product Categories: Ring Systems
• Mol File: 18158-16-2.mol

Chemical Properties

• Melting Point: 110-112 °C
• Boiling Point: 468.7°Cat760mmHg
• Flash Point: 237.3°C
• Appearance: /
• Density: 1.204g/cm³
• Vapor Pressure: 5.84E-09mmHg at 25°C
• Refractive Index: 1.548
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 16.05±0.20(Predicted)
• CAS DataBase Reference: 1-Cbz-[1,4]diazepan-5-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Cbz-[1,4]diazepan-5-one(18158-16-2)
• EPA Substance Registry System: 1-Cbz-[1,4]diazepan-5-one(18158-16-2)

Safety Data

• Hazardous Substances Data: 18158-16-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1-Cbz-[1,4]diazepan-5-one is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to be incorporated into complex molecular structures, contributing to the development of new drugs with potential therapeutic benefits.
Used in Medicinal Chemistry Research:
1-Cbz-[1,4]diazepan-5-one is utilized as a precursor in the exploration of novel therapeutic agents, particularly for the treatment of various medical conditions. Its unique structure allows for the modification and functionalization necessary for the discovery of new pharmaceutical compounds with improved efficacy and safety profiles.

InChI:InChI=1/C13H16N2O3/c16-12-6-8-15(9-7-14-12)13(17)18-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,16)

Upstream product

• 34376-54-0 [1,4]diazepan-5-one 
• 501-53-1 benzyl chloroformate 
• 41979-39-9 4-piperidone hydrochloride 
• 13139-17-8 N-(Benzyloxycarbonyloxy)succinimide 
• 19099-93-5 benzyl 4-oxo-1-piperidinecarboxylate 
• 1208098-44-5 benzyl 4-(hydroxyimino)piperidine-1-carboxylate 

Downstream Products

• 1065066-13-8 C₁₃H₁₇N₃O₂ 
• 596809-75-5 benzyl 4-[3-(4-cyanophenoxy)propyl]-5-oxo-1,4-diazepane-1-carboxylate 
• 1205542-28-4 (rac)-4-[3-(tert-butyl-dimethyl-silanyloxy)-1-methoxycarbonyl-propyl]-5-oxo-[1,4]diazepane-1-carboxylic acid benzyl ester 
• 1359072-82-4 C₃₄H₃₂N₆O₃ 
• 1359073-27-0 C₁₆H₂₁N₃O₄ 
• 1359074-52-4 C₁₈H₂₆N₂O₅ 
• 1359072-83-5 C₁₇H₂₂N₂O₅ 
• 1359069-41-2 C₁₅H₁₉N₃O₄ 
• 1359072-81-3 C₁₅H₁₈N₆O₃ 
• 1219960-42-5 4-(2-methoxyethyl)-1,4-diazepan-5-one 
• 344779-07-3 4-(2-(dimethylamino)ethyl)-1,4-diazepan-5-one 
• 1359074-07-9 C₁₆H₂₂N₂O₄ 

Relevant articles and documents

Unconventional Synthetic Process of Fasudil Hydrochloride: Costly Homopiperazine Was Avoided

An efficient, robust, and cost-effective synthetic process of fasudil hydrochloride 1 was developed. Starting from readily available ethylenediamine and 5-isoquinoline sulfonyl chloride, the target product 1 was prepared through a six-step reaction, including sulfonamidation, protection, nucleophilic substitution, deprotection, cyclization, and salification. The process afforded 1 in 67.1% overall yield (based on 5-isoquinoline sulfonyl chloride) with 99.94% purity. Compared to the earlier published methodologies, the use of homopiperazine or its derivatives as intermediates was avoided. The salient features of this environmentally friendly synthetic route include easily available starting materials and operational simplicity, which could be suitable for large-scale industrial production.

CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS

The present invention relates to new substituted carboxylic acid amides of general formula (I), wherein D, B, R3, R4 and R5 are defined as in the specification, the tautomers, the enantiomers, the diastereomers, the mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, which have valuable properties.