(4-Amino-3-chlorophenyl)methanol

Base Information

• Chemical Name: (4-Amino-3-chlorophenyl)methanol
• CAS No.: 113372-69-3
• Molecular Formula: C7H8ClNO
• Molecular Weight: 157.59800
• DSSTox Substance ID: DTXSID10551114
• Nikkaji Number: J532.738E
• Wikidata: Q82430628
• Mol file: 113372-69-3.mol

Synonyms:(4-Amino-3-chlorophenyl)methanol;113372-69-3;4-Amino-3-chloro-benzenemethanol;Benzenemethanol, 4-amino-3-chloro-;2-Chloro-4-AMinophenylalcohol;SCHEMBL1744746;4-amino-3-chlorobenzenemethanol;DTXSID10551114;NRPUTLUQRQJJKJ-UHFFFAOYSA-N;(4-amino-3-chloro-phenyl)-methanol;MFCD12406856;AKOS017514941;SB76360;AS-30333;CS-0378804

Chemical Property of (4-Amino-3-chlorophenyl)methanol

Chemical Property:

• Melting Point: 99 °C
• Boiling Point: 295.9±25.0 °C(Predicted)
• PKA: 13.95±0.10(Predicted)
• PSA: 46.25000
• Density: 1.341±0.06 g/cm3(Predicted)
• LogP: 1.99570
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 157.0294416
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98.5% ^*data from raw suppliers

(4-Amino-3-chlorophenyl)methanol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CO)Cl)N

Technology Process of (4-Amino-3-chlorophenyl)methanol

There total 8 articles about (4-Amino-3-chlorophenyl)methanol 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: 90.0%

3-chloro-4-nitrobenzyl alcohol (113372-68-2) → (4-amino-3-chlorophenyl)methanol (113372-69-3)

Guidance literature:

With molybdenum hexacarbonyl; 1,8-diazabicyclo[5.4.0]undec-7-ene; In ethanol; at 150 ℃; for 0.5h; microwave irradiation;

DOI:10.1055/s-2007-986628

Reference yield: 76.0%

→ (4-amino-3-chlorophenyl)methanol (113372-69-3)

Guidance literature:

Reference yield: 48.0%

methyl 4-amino-3-chlorobenzoate (84228-44-4) → (4-amino-3-chlorophenyl)methanol (113372-69-3)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; toluene; for 16h;

DOI:10.1021/jm9910472

upstream raw materials:

3-chloro-4-nitrobenzyl alcohol

methyl 4-amino-3-chlorobenzoate

4-amino-3-chlorobenzonitrile

4-amino-3-chlorobenzoic acid

Downstream raw materials:

C₆₁H₆₉ClN₆O₂₀

Carbonic acid 4-{(S)-6-allyloxycarbonylamino-2-[(S)-2-((R)-2-allyloxycarbonylamino-propionylamino)-3-phenyl-propionylamino]-hexanoylamino}-3-chloro-benzyl ester 4-nitro-phenyl ester

[(S)-5-[(S)-2-((R)-2-Allyloxycarbonylamino-propionylamino)-3-phenyl-propionylamino]-5-(2-chloro-4-hydroxymethyl-phenylcarbamoyl)-pentyl]-carbamic acid allyl ester