Tert-butyl 3-bromobenzylcarbamate

Base Information

• Chemical Name: Tert-butyl 3-bromobenzylcarbamate
• CAS No.: 171663-13-1
• Molecular Formula: C12H16BrNO2
• Molecular Weight: 286.169
• Hs Code.: 2924299090
• European Community (EC) Number: 813-906-3
• DSSTox Substance ID: DTXSID70452739
• Nikkaji Number: J979.511A
• Mol file: 171663-13-1.mol

Synonyms:tert-butyl 3-bromobenzylcarbamate;171663-13-1;Tert-butyl N-[(3-bromophenyl)methyl]carbamate;(3-BROMO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER;1-(Boc-aminomethyl)-3-bromobenzene;MFCD08703139;tert-butyl3-bromobenzylcarbamate;Carbamic acid, (3-bromophenyl)methyl-, 1,1-dimethylethyl ester;tert-butyl (3-bromobenzyl)carbamate;SCHEMBL507151;DTXSID70452739;BSEVOUCZQOLENZ-UHFFFAOYSA-N;tert-butyl(3-bromo-benzyl)carbamate;WGA66313;t-Butyl N-(3-bromobenzyl)carbamate;tert-butyl (3-bromo benzyl)carbamate;tert-butyl (3-bromo-benzyl)carbamate;tert-butyl(3-bromo-benzyl)-carbamate;AKOS013101017;tert-butyl (3-bromo-benzyl)-carbamate;tert-butyl N-(3-bromobenzyl)carbamate;AM86689;MB06549;N-tert-butoxycarbonyl 3-bromobenzylamine;N-tert-butoxycarbonyl-3-bromobenzylamine;tert-butyl 3-bromophenylmethyl carbamate;DS-15170;SY020980;3-Bromobenzylcarbamic acid tert-butyl ester;CS-0036109;FT-0770145;tert-Butyl 3-bromobenzylcarbamate, AldrichCPR;(3-bromobenzyl)-carbamic acid tert-butyl ester;EN300-781051

Chemical Property of Tert-butyl 3-bromobenzylcarbamate

Chemical Property:

• Boiling Point: 370.3 °C at 760 mmHg
• Flash Point: 177.8 °C
• PSA: 38.33000
• Density: 1.319 g/cm³
• LogP: 3.86470
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 285.03644
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

(3-Bromobenzyl)carbamicAcidtert-ButylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC1=CC(=CC=C1)Br

Technology Process of Tert-butyl 3-bromobenzylcarbamate

There total 8 articles about Tert-butyl 3-bromobenzylcarbamate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-bromobenzylamine hydrochloride (39959-54-1) → t-butyl N-(3-bromobenzyl)carbamate (171663-13-1)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 16h;

Reference yield: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-bromobenzylamine (10269-01-9) → t-butyl N-(3-bromobenzyl)carbamate (171663-13-1)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 0.5h;

Reference yield: 60.0%

→ t-butyl N-(3-bromobenzyl)carbamate (171663-13-1)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 12h;

upstream raw materials:

di-tert-butyl dicarbonate

3-bromobenzylamine hydrochloride

3-bromobenzylamine

C₂₃H₂₁BrF₁₇NO₃

Downstream raw materials:

tert-butyl (3-bromo-benzyl)-N-methylcarbamate

2-amino-3'-tert-butoxycarbonylaminomethyl-5-chlorobenzophenone

[3-(tert-butoxycarbonylaminomethyl)phenyl]carbamic acid 2-trimethylsilanylethyl ester

(4,4-dimethyl-3,4-dihydrocarbostyril)-6-carboxylic acid (E)-3-[2-(hydroxycarbamoyl)vinyl]benzylamide