Benzyl (3-bromopropyl)carbamate

Modify Date: 2024-01-16 12:56:02

Benzyl (3-bromopropyl)carbamate Structure
Benzyl (3-bromopropyl)carbamate structure
Common Name Benzyl (3-bromopropyl)carbamate
CAS Number 39945-54-5 Molecular Weight 272.138
Density 1.4±0.1 g/cm3 Boiling Point 379.4±35.0 °C at 760 mmHg
Molecular Formula C11H14BrNO2 Melting Point 37-39ºC
MSDS N/A Flash Point 183.3±25.9 °C

 Names

Name tert-butyl n-(3-bromopropyl)carbamate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 379.4±35.0 °C at 760 mmHg
Melting Point 37-39ºC
Molecular Formula C11H14BrNO2
Molecular Weight 272.138
Flash Point 183.3±25.9 °C
Exact Mass 271.020782
PSA 38.33000
LogP 3.02
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.550

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EY9765000
CHEMICAL NAME :
Carbamic acid, (3-bromopropyl)-, benzyl ester
CAS REGISTRY NUMBER :
39945-54-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H14-Br-N-O2
MOLECULAR WEIGHT :
272.17
WISWESSER LINE NOTATION :
E3MVO1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02337

 Safety Information

Hazard Codes Xn

 Synthetic Route

~99%

Benzyl (3-bromopropyl)carbamate Structure

Benzyl (3-bromo...

CAS#:39945-54-5

Literature: LIGHTSHIP MEDICAL LIMITED; JAMES, Tony; BARWELL, Nicholas, Paul Patent: WO2012/95628 A1, 2012 ; Location in patent: Page/Page column 20 ;

~94%

Benzyl (3-bromopropyl)carbamate Structure

Benzyl (3-bromo...

CAS#:39945-54-5

Literature: STARPHARMA PTY LIMITED Patent: WO2007/82331 A1, 2007 ; Location in patent: Page/Page column 100-101 ;

~93%

Benzyl (3-bromopropyl)carbamate Structure

Benzyl (3-bromo...

CAS#:39945-54-5

Literature: Dai, Chunhui; Narayanam, Jagan M.R.; Stephenson, Corey R.J. Nature Chemistry, 2011 , vol. 3, # 2 p. 140 - 145

~78%

Benzyl (3-bromopropyl)carbamate Structure

Benzyl (3-bromo...

CAS#:39945-54-5

Literature: Meng; Qingchang; Slassi; Abdelmalik; Rakhit; Sumanas Patent: US5654431 A1, 1997 ; US 5654431 A

~76%

Benzyl (3-bromopropyl)carbamate Structure

Benzyl (3-bromo...

CAS#:39945-54-5

Literature: Khan, Hassan A.; Robins, David J. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1985 , p. 101 - 106

~%

Benzyl (3-bromopropyl)carbamate Structure

Benzyl (3-bromo...

CAS#:39945-54-5

Literature: Carrasco, Michael R.; Alvarado, Carolina I.; Dashner, Scott T.; Wong, Amanda J.; Wong, Michael A. Journal of Organic Chemistry, 2010 , vol. 75, # 16 p. 5757 - 5759

 Synonyms

N-(TERT-BUTOXYCARBONYL)-3-BROMOPROPYLAMINE
3-(N-benzyloxycarbonyl)amino-1-bromopropane
Wln: E3mvo1r
(3-bromopropyl)-carbamicacibenzylester
N-(3-bromopropyl)-carbamic acid phenylmethyl ester
Br(CH2)3NHCbz
Benzyl N-(3-broMopropyl)carbaMate
Carbamic acid, N-(3-bromopropyl)-, phenylmethyl ester
Benzyl (3-bromopropyl)carbamate
N-(3-bromopropyl)carbamic acid benzyl ester
Carbamic acid,(2-bromopropyl)-,benzyl ester
(3-bromopropyl)carbamicacidbenzylester
N-Cbz-3-bromopropylamine
Phenylmethyl N-(3-Bromopropyl)Carbamate
N-BOC-3-BROMOPROPYLAMINE
Carbamic acid, (3-bromopropyl)-, phenylmethyl ester (9CI)
N-Benzyloxycarbonyl-3-bromopropylamine
CbzNH(CH2)3Br
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