3-Chloro-n,2-dimethylaniline

Base Information

• Chemical Name: 3-Chloro-n,2-dimethylaniline
• CAS No.: 41456-52-4
• Molecular Formula: C8H10ClN
• Molecular Weight: 155.627
• Hs Code.: 2921430090
• DSSTox Substance ID: DTXSID80562232
• Wikidata: Q82446303
• Mol file: 41456-52-4.mol

Synonyms:3-chloro-n,2-dimethylaniline;41456-52-4;3-Chloro-2,N-dimethylaniline;SCHEMBL9232217;DTXSID80562232;MFCD10687534;AKOS000250477;BS-28275;G11161;EN300-1254100

Chemical Property of 3-Chloro-n,2-dimethylaniline

Chemical Property:

• PSA: 12.03000
• LogP: 2.76310
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 155.0501770
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-N,2-dimethylaniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1Cl)NC

Technology Process of 3-Chloro-n,2-dimethylaniline

There total 6 articles about 3-Chloro-n,2-dimethylaniline 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: 79.0%

N-(3-chloro-2-methylphenyl)formamide (71862-02-7) → 3-chloro-2-methylbenzylamine (41456-52-4)

Guidance literature:

N-(3-chloro-2-methylphenyl)formamide; With borane-THF; In tetrahydrofuran; at -40 - 20 ℃;

With hydrogenchloride; water; In tetrahydrofuran; at 20 ℃;

With sodium hydroxide; In water; acetonitrile;

Reference yield: 60.0%

(3-chloro-2-methylphenyl)boronic acid (313545-20-9) + nitromethane (75-52-5) → 3-chloro-2-methylbenzylamine (41456-52-4)

Guidance literature:

With 1,2,2,3,4,4-hexamethylphosphetane 1-oxide; phenylsilane; at 120 ℃; for 24h; chemoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1021/jacs.0c08035

Reference yield:

N-(3-Chlor-2-methyl-anilinomethyl)-succinimid (70289-22-4) → 3-chloro-2-methylbenzylamine (41456-52-4)

Guidance literature:

With hydrogen; nickel; In ethanol; at 100 ℃; under 51714.8 Torr;

DOI:10.1071/CH9900741

upstream raw materials:

N-(3-Chlor-2-methyl-anilinomethyl)-succinimid

3-chloro-2-methylbenzenamine

N-(3-chloro-2-methylphenyl)formamide

3-Chlor-N-ethoxycarbonyl-2-methylanilin

Downstream raw materials:

N-(3'-chloro-2'-methylphenyl)-N-methyl-3-phenylpropenamide

4,6-dichloro-N-(3-chloro-2-methylbenzyl)-1,3,5-triazin-2-amine

C₁₇H₁₇BrClN₃O₂

C₁₆H₁₄ClN₃O₂

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