2-(Aminomethyl)-4-chlorophenol

Base Information

• Chemical Name: 2-(Aminomethyl)-4-chlorophenol
• CAS No.: 3970-05-6
• Molecular Formula: C7H8 Cl N O
• Molecular Weight: 157.6
• Hs Code.: 2922299090
• NSC Number: 26173
• DSSTox Substance ID: DTXSID50960302
• ChEMBL ID: CHEMBL33719
• Mol file: 3970-05-6.mol

Synonyms:2-(Aminomethyl)-4-chlorophenol;3970-05-6;3370-05-6;NSC26173;2-hydroxy-5-chlorobenzylamine;CHEMBL33719;SCHEMBL622779;2-hydroxy-5-chloro-benzylamine;5-Chloro-2-hydroxy-benzylamine;DTXSID50960302;PTZMBOCHADEFMC-UHFFFAOYSA-N;NSC-26173;AKOS000134054;AB23336;2-(aminomethyl)-4-chlorophenol, AldrichCPR;FT-0688364;EN300-58351;A20432;C90472

Chemical Property of 2-(Aminomethyl)-4-chlorophenol

Chemical Property:

• Vapor Pressure: 0.00221mmHg at 25°C
• Boiling Point: 280.6°Cat760mmHg
• Flash Point: 123.5°C
• PSA: 46.25000
• Density: 1.315g/cm³
• LogP: 2.20460
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• 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:

97% ^*data from raw suppliers

2-(aminomethyl)-4-chlorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)CN)O

Technology Process of 2-(Aminomethyl)-4-chlorophenol

There total 7 articles about 2-(Aminomethyl)-4-chlorophenol 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: 88.0%

5-chlorosalicylamide (7120-43-6) → 5-chloro-2-hydroxybenzylamine (3970-05-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 3h; Heating;

DOI:10.1021/jm049580r

Reference yield: 38.0%

5-chloro-2-hydroxy-benzaldehyde oxime (87974-49-0,1595-14-8) → 5-chloro-2-hydroxybenzylamine (3970-05-6)

Guidance literature:

With sulfuric acid; hydrogen; Rh on carbon; In ethanol; for 2h; under 2068.6 Torr;

DOI:10.1021/jm00186a024

Reference yield:

4-chlorosalicylaldehyde (2420-26-0) → 5-chloro-2-hydroxybenzylamine (3970-05-6)

Guidance literature:

Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride; sodium carbonate / ethanol; water

2: sulfuric acid; hydrogen / Rh/C / ethanol

With sulfuric acid; hydroxylamine hydrochloride; hydrogen; sodium carbonate; Rh/C; In ethanol; water;

upstream raw materials:

5-chloro-2-hydroxy-benzaldehyde oxime

5-chlorosalicylamide

5-chlorosalicyclaldehyde

4-chlorosalicylaldehyde

Downstream raw materials:

2-Aminomethyl-4-chloro-6-iodo-phenol; hydrochloride

C₂₀H₁₉ClI₃N₃O₆

(5-chloro-2-hydroxybenzyl)carbamic acid tert-butyl ester

4-chloro-2-[(2-chloro-9-cyclopentyl-9H-purin-6-ylamino)methyl]phenol