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CAS Number: 112275-50-0
tert-butyl 1,4-diazepane-1-carboxylate

Structure

 tert-butyl 1,4-diazepane-1-carboxylate
Name: tert-butyl 1,4-diazepane-1-carboxylate
Synonyms:
General Information
Product Number: 112275500
CAS Registry Number:
112275-50-0
Name:
 
1H-1,4-Diazepine-1-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester
1,1-Dimethylethyl 1,4-diazepane-1-carboxylate; 1,1-Dimethylethyl hexahydro-1H-1,4-diazepine-1-carboxylate; 1-(tert-Butoxycarbonyl)-1,4-diazacycloheptane; 1-(tert-Butoxycarbonyl)homopiperazine; 1-Boc-4-homopiperazine; 1-Boc-homopiperazine; 1-Homopiperazinecarboxylic acid tert-butyl ester; 1-tert-Butoxycarbonyl[1,4]diazepane; 1-tert-Butoxycarbonylhexahydro-1,4-diazepane; 1-tert-Butoxycarbonylhexahydro-1,4-diazepine; BOC-homopiperazine; N-(tert-Butoxycarbonyl)homopiperazine; N-(tert-Butyloxycarbonyl)homopiperazine; [1,4]Diazepane-1-carboxylic acid tert-butyl ester; tert-Butyl 1,4-diazepane-1-carboxylate; tert-Butyl 1-homopiperazinecarboxylate; tert-Butyl hexahydro-1H-1,4-diazepine-1-carboxylate 
 
Deleted CAS Registry Numbers: 1220220-38-1
 
Chemical Formula: C10H20N2O2
Exact Mass: 200.15
Molecular Weight: 200.28
m/z: 200.15 (100.0%), 201.16 (11.1%)
Elemental Analysis: C, 59.97; H, 10.07; N, 13.99; O, 15.98
 
MDL Number: MFCD00276987.
InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-4-5-11-6-8-12/h11H,4-8H2,1-3H3
InChIKey: WDPWEXWMQDRXAL-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CCCNCC1
 
 
Thermal Properties Value Condition Note
Melting Point 143.4 °C   (2)CAS

Specification

98%
References
  1. (1) Jo, Yun Suk; Journal of the American Chemical Society 2009, V131(40), P14413-14418 CAPLUS
  2. (2) Pippel, Daniel J.; Organic Process Research & Development 2011, V15(3), P638-648 CAPLUS
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