(5-Amino-2-chloro-phenyl)-carbamic acid tert-butyl ester

Base Information

• Chemical Name: (5-Amino-2-chloro-phenyl)-carbamic acid tert-butyl ester
• CAS No.: 879614-93-4
• Molecular Formula: C11H15 Cl N2 O2
• Molecular Weight: 242.705
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID10656158
• Wikidata: Q82570678
• Mol file: 879614-93-4.mol

Synonyms:879614-93-4;(5-AMINO-2-CHLORO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER;tert-Butyl (5-amino-2-chlorophenyl)carbamate;TERT-BUTYL N-(5-AMINO-2-CHLOROPHENYL)CARBAMATE;SCHEMBL2230076;DTXSID10656158;MFCD04114551;AKOS009576635;AB18556;CS-0340626;FT-0722231;tert-Butyl(5-amino-2-chlorophenyl)carbamate;EN300-1880555;(5-Amino-2-chloro-phenyl)-carbamic acid t-butyl ester;(5-Amino-2-chloro-phenyl)-carbamic acid tert-butyl ester, AldrichCPR

Chemical Property of (5-Amino-2-chloro-phenyl)-carbamic acid tert-butyl ester

Chemical Property:

• PSA: 64.35000
• LogP: 3.92340
• XLogP3: 2.3
• 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

(5-Amino-2-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=C(C=CC(=C1)N)Cl

Technology Process of (5-Amino-2-chloro-phenyl)-carbamic acid tert-butyl ester

There total 3 articles about (5-Amino-2-chloro-phenyl)-carbamic acid tert-butyl ester 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: 82.0%

C11H13ClN2O4 (879614-90-1) → tert-butyl 5-amino-2-chlorophenylcarbamate (879614-93-4)

Guidance literature:

C₁₁H₁₃ClN₂O₄; With tin(ll) chloride; In ethanol; for 1h; Heating / reflux;

With sodium hydroxide; sodium hydrogencarbonate; In ethanol; water; pH=8;

Reference yield:

H2NC6H3(Cl)NO2 (6283-25-6) → tert-butyl 5-amino-2-chlorophenylcarbamate (879614-93-4)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; dmap / tetrahydrofuran / 25 °C

2: iron; ammonium chloride / water; ethanol / 90 °C

With dmap; iron; ammonium chloride; triethylamine; In tetrahydrofuran; ethanol; water;

DOI:10.1016/j.bmcl.2014.01.006

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 5-amino-2-chlorophenylcarbamate (879614-93-4)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; dmap / tetrahydrofuran / 25 °C

2: iron; ammonium chloride / water; ethanol / 90 °C

With dmap; iron; ammonium chloride; triethylamine; In tetrahydrofuran; ethanol; water;

DOI:10.1016/j.bmcl.2014.01.006

upstream raw materials:

C₁₁H₁₃ClN₂O₄

H₂NC₆H₃(Cl)NO₂

di-tert-butyl dicarbonate

Downstream raw materials:

C₂₂H₁₉Cl₂N₃O₅S

C₂₃H₂₁Cl₂N₃O₅S

C₁₄H₁₂Cl₂N₂O₃S

C₂₁H₁₆Cl₃N₃O₄S

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