tert-Butyl (3-amino-4-chlorophenyl)carbamate

Base Information

• Chemical Name: tert-Butyl (3-amino-4-chlorophenyl)carbamate
• CAS No.: 885270-73-5
• Molecular Formula: C11H15 Cl N2 O2
• Molecular Weight: 242.705
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00697656
• Wikidata: Q82627609
• Mol file: 885270-73-5.mol

Synonyms:885270-73-5;tert-Butyl (3-amino-4-chlorophenyl)carbamate;(3-AMINO-4-CHLORO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER;2-Amino-4-Boc-amino-phenylchloride;tert-butyl N-(3-amino-4-chlorophenyl)carbamate;MFCD04114552;SCHEMBL4013659;DTXSID00697656;DBQDDWSYKOTBGD-UHFFFAOYSA-N;AKOS022364436;AB18558;AS-30165;CS-0083456;FT-0733851;tert-Butyl(3-amino-4-chlorophenyl)carbamate;EN300-315133;A862132;TERT-BUTYL 3-AMINO-4-CHLOROPHENYLCARBAMATE;(3-amino-4-chlorophenyl)carbamic acid tert-butyl ester;(3-AMINO-4-CHLORO-PHENYL)-CARBAMICACIDTERT-BUTYLESTER;(3-Amino-4-chloro-phenyl)-carbamic acid tert-butyl ester, AldrichCPR

Chemical Property of tert-Butyl (3-amino-4-chlorophenyl)carbamate

Chemical Property:

• PSA: 64.35000
• LogP: 3.92340
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 242.0822054
• Heavy Atom Count: 16
• Complexity: 253

Purity/Quality:

97% ^*data from raw suppliers

(3-Amino-4-chloro-phenyl)-carbamicacidtert-butylester 97% ^*data from reagent suppliers

Safty Information:

• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of tert-Butyl (3-amino-4-chlorophenyl)carbamate

There total 4 articles about tert-Butyl (3-amino-4-chlorophenyl)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: 86.0%

1,1-dimethylethyl 4-chloro-3-nitrophenylcarbamate → tert-butyl (3-amino-4-chlorophenyl)carbamate (885270-73-5)

Guidance literature:

1,1-dimethylethyl 4-chloro-3-nitrophenylcarbamate; With iron(III) chloride hexahydrate; pyrographite; In methanol; for 0.166667h; Reflux;

With hydrazine hydrate; In methanol; for 1h; Reflux;

Reference yield: 83.0%

di-tert-butyl dicarbonate (24424-99-5) + 2-chloro-1,3-phenylenediamine (6400-14-2) → tert-butyl (3-amino-4-chlorophenyl)carbamate (885270-73-5)

Guidance literature:

In dichloromethane; at 20 ℃; for 48h;

Reference yield:

4-Chloro-3-nitroaniline (635-22-3) → tert-butyl (3-amino-4-chlorophenyl)carbamate (885270-73-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: tetrahydrofuran / 20 h / Reflux

2.1: pyrographite; iron(III) chloride hexahydrate / methanol / 0.17 h / Reflux

2.2: 1 h / Reflux

With iron(III) chloride hexahydrate; pyrographite; In tetrahydrofuran; methanol;

upstream raw materials:

di-tert-butyl dicarbonate

2-chloro-1,3-phenylenediamine

4-Chloro-3-nitroaniline

1-chloro-2,6-dinitrobenzene

Downstream raw materials:

2-[(5-amino-2-chlorophenyl)amino]-1,3-thiazol-4(5H)-one

tert-butyl 4-chloro-3-(3-phenylureido)phenylcarbamate

tert-butyl 4-chloro-3-(4-chlorobutanamido)phenylcarbamate

tert-butyl 4-chloro-3-(isopropylamino)phenylcarbamate