tert-butyl N-(3-bromophenyl)carbamate

Base Information

• Chemical Name: tert-butyl N-(3-bromophenyl)carbamate
• CAS No.: 25216-74-4
• Molecular Formula: C11H14BrNO2
• Molecular Weight: 272.142
• Hs Code.: 2924299090
• European Community (EC) Number: 625-797-8
• DSSTox Substance ID: DTXSID10373792
• Nikkaji Number: J2.524.743D
• Wikidata: Q82162124
• Mol file: 25216-74-4.mol

Synonyms:tert-butyl N-(3-bromophenyl)carbamate;25216-74-4;N-(tert-Butoxycarbonyl)-3-bromoaniline;tert-Butyl (3-bromophenyl)carbamate;tert-butyl 3-bromophenylcarbamate;MFCD01006618;N-Boc-3-bromoaniline;N-Boc 3-bromoaniline;SCHEMBL1400198;Carbamic acid, (3-bromophenyl)-, 1,1-dimethylethyl ester;DTXSID10373792;VDFBCTSISJDKNW-UHFFFAOYSA-N;tert-Butyl(3-bromophenyl)carbamate;3-Bromo-N-tert-butoxycarbonylaniline;AB8587;3-Bromo-N-tert-butoxycarbonyl aniline;AKOS003554161;BS-23684;SY106645;AM20040026;CS-0188259;3-bromo-phenyl-carbamic acid tert-butyl ester;N-(tert-Butoxycarbonyl)-3-bromoaniline, 97%;EN300-176959;(3-bromo-phenyl)-carbamic acid tert-butyl ester;A817711;J-015875

Chemical Property of tert-butyl N-(3-bromophenyl)carbamate

Chemical Property:

• Vapor Pressure: 0.00399mmHg at 25°C
• Melting Point: 86-89oC(lit.)
• Boiling Point: 279.6oC at 760 mmHg
• PKA: 13.19±0.70(Predicted)
• Flash Point: 122.9oC
• PSA: 38.33000
• Density: 1.398g/cm3
• LogP: 3.86910
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 271.02079
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

98%,99%, ^*data from raw suppliers

tert-ButylN-(3-Bromophenyl)carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=CC(=CC=C1)Br

Technology Process of tert-butyl N-(3-bromophenyl)carbamate

There total 10 articles about tert-butyl N-(3-bromophenyl)carbamate 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) + m-Bromoaniline (591-19-5) → tert-butyl (3-bromophenyl)carbamate (25216-74-4)

Guidance literature:

In sodium hydroxide;

Reference yield: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + m-Bromoaniline (591-19-5) → H-t-Boc-3-bromoaniline + tert-butyl (3-bromophenyl)carbamate (25216-74-4)

Guidance literature:

In sodium hydroxide;

Reference yield: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + m-Bromoaniline (591-19-5) → Z-O-Methyl-4-[(3-(4-(N', N'-dimethylaminocarbonyl-N-methylamino)-benzylamino)phenyl)oximinomethyl]tetrahydropyran + tert-butyl (3-bromophenyl)carbamate (25216-74-4)

Guidance literature:

In sodium hydroxide;

upstream raw materials:

di-tert-butyl dicarbonate

m-Bromoaniline

tert-butyldicarbonate

bromobenzene

Downstream raw materials:

N-[3-(2-fluoropyridin-4-yl)-phenyl]-carbamic acid 1,1-dimethylethyl ether

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

1-(3-bromophenyl)-3-butylurea

Refernces

• 1、 -. "MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS". Paragraph 0337-0340; 0336. . Retrieved 2019/06/19.
• 2、 -. "FNEW ACTIVATORS OF SIRT1 ENZYME FOR THE TREATMENT OF CARDIOVASCULAR AND CARDIOMETABOLIC PATHOLOGIES". Page/Page column 13; 17; 29. . Retrieved 2019/09/12.