Tert-butyl 4-bromobenzylcarbamate

Base Information

• Chemical Name: Tert-butyl 4-bromobenzylcarbamate
• CAS No.: 68819-84-1
• Molecular Formula: C12H16 Br N O2
• Molecular Weight: 286.169
• Hs Code.: 2924299090
• European Community (EC) Number: 961-984-3
• DSSTox Substance ID: DTXSID80498921
• Nikkaji Number: J1.237.725H
• Wikidata: Q72451930
• Mol file: 68819-84-1.mol

Synonyms:TERT-BUTYL 4-BROMOBENZYLCARBAMATE;68819-84-1;N-BOC-4-bromobenzylamine;(4-BROMO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER;TERT-BUTYL N-[(4-BROMOPHENYL)METHYL]CARBAMATE;MFCD08703140;tert-butyl4-bromobenzylcarbamate;tert-butyl N-(4-bromobenzyl)carbamate;SCHEMBL81094;DTXSID80498921;tert-butyl-4-Bromobenzylcarbamate;DJNCXSGGAMADNN-UHFFFAOYSA-N;BCP27155;AKOS013101587;tert-butyl (4-bromo-benzyl)-carbamate;AB48440;AM87142;CS-W005364;N-tert-butoxycarbonyl-4-bromobenzylamine;DS-16845;SY083430;FT-0729402;N-(tert-Butoxycarbonyl)-4-bromo-benzylamine;tert-Butyl [(4-bromophenyl)methyl]carbamate;tert-Butyl 4-bromobenzylcarbamate, AldrichCPR;EN300-1722986;((4-Bromo-benzyl)-carbamic acid tert-butyl ester;A866966

Chemical Property of Tert-butyl 4-bromobenzylcarbamate

Chemical Property:

• Melting Point: 86-88℃
• Boiling Point: 370.3 °C at 760 mmHg
• PKA: 12.05±0.46(Predicted)
• Flash Point: 177.8 °C
• PSA: 38.33000
• Density: 1.319 g/cm³
• LogP: 3.86470
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: at 25 deg C (mg/L): 6.688
• 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: 230

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl4-Bromobenzylcarbamate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

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

Technology Process of Tert-butyl 4-bromobenzylcarbamate

There total 11 articles about Tert-butyl 4-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) + 4-Bromobenzylamine (3959-07-7) → tert-butyl N-(4-bromobenzyl)carbamate (68819-84-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃;

DOI:10.1016/S0960-894X(03)00757-1

Reference yield: 100.0%

4-(aminomethyl)phenylboronic acid hydrochloride + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl N-(4-bromobenzyl)carbamate (68819-84-1)

Guidance literature:

With sodium hydrogencarbonate; In methanol; for 4h;

Reference yield: 99.0%

di-tert-butyl dicarbonate (24424-99-5) + 4-bromobenzylamine hydrochloride (26177-44-6) → tert-butyl N-(4-bromobenzyl)carbamate (68819-84-1)

Guidance literature:

With triethylamine; In chloroform; at 20 ℃; for 2h;

upstream raw materials:

methyl tert-butyl iminodicarboxylate potassium salt

1-bromomethyl-4-bromobenzene

di-tert-butyl dicarbonate

4-bromobenzylamine hydrochloride

Downstream raw materials:

N-Boc-4-aminobenzylprop-2-yn-1-(4'-tert-butylphenyl) ether

2-benzenesulfonylamino-3-({5-[4-(tert-butoxycarbonylamino-methyl)-phenyl]-thiophene-2-carbonyl}-amino)-propionic acid tert-butyl ester

(4-trimethylsilylethyn-1-ylbenzyl)carbamic acid tert-butyl ester

2-amino-4'-tert-butoxycarbonylaminomethyl-5-chlorobenzophenone