(3-Chloro-4-methoxyphenyl)methanaminium chloride

Base Information

• Chemical Name: (3-Chloro-4-methoxyphenyl)methanaminium chloride
• CAS No.: 41965-95-1
• Molecular Formula: C8H11Cl2NO
• Molecular Weight: 208.087
• Hs Code.: 2922299090
• European Community (EC) Number: 609-972-6
• Mol file: 41965-95-1.mol

Synonyms:EC 609-972-6;(3-Chloro-4-methoxyphenyl)methanaminium chloride

Chemical Property of (3-Chloro-4-methoxyphenyl)methanaminium chloride

Chemical Property:

• Appearance/Colour: WHITE TO YELLOW POWDER, CRYSTALS OR CRYSTALLINE POWDER AND/OR CHUNKS
• Vapor Pressure: 0.0102mmHg at 25°C
• Melting Point: 250-255 °C
• Boiling Point: 263.5 °C at 760 mmHg
• Flash Point: 113.2 °C
• PSA: 35.25000
• LogP: 3.30960
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 172.0529167
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

99% ^*data from raw suppliers

3-Chloro-4-methoxybenzylamine Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-37/38-41
• Safety Statements: 26-36/37-45-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C[NH3+])Cl

Technology Process of (3-Chloro-4-methoxyphenyl)methanaminium chloride

There total 6 articles about (3-Chloro-4-methoxyphenyl)methanaminium chloride 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: 95.0%

N-(3-chloro-4-methoxybenzyl)formamide (212576-67-5) → (3-chloro-4-methoxyphenyl)methylamine hydrogen chloride (41965-95-1)

Guidance literature:

With hydrogenchloride; for 3h; Heating;

DOI:10.1021/jm970815r

Reference yield: 90.0%

3-Chloro-4-methoxybenzonitrile (102151-33-7) → (3-chloro-4-methoxyphenyl)methylamine hydrogen chloride (41965-95-1)

Guidance literature:

3-Chloro-4-methoxybenzonitrile; With potassium tert-butylate; In tetrahydrofuran; at 70 ℃; for 12h; Glovebox; Inert atmosphere; Sealed tube;

With sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; Glovebox; Inert atmosphere; Sealed tube;

With hydrogenchloride; In methanol; diethyl ether; at 20 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1021/acs.inorgchem.9b01377

Reference yield: 80.0%

4-methoxy-benzylamine (2393-23-9) → (3-chloro-4-methoxyphenyl)methylamine hydrogen chloride (41965-95-1)

Guidance literature:

With sulfuryl dichloride; acetic acid; In diethyl ether; at 20 ℃;

DOI:10.1055/s-2003-37362

upstream raw materials:

N-(3-chloro-4-methoxybenzyl)formamide

4-methoxy-benzylamine

4-methoxybenzylamine hydrochloride

3-chloro-4-methoxy-benzaldehyde

Downstream raw materials:

4-(3-Chloro-4-methoxybenzyl)amino-1,6-dichloro-phthalazine

1-Chloro-4-(3-chloro-4-methoxybenzyl)amino-6-cyanophthalazine

ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-6-cyanoquinoline-3-carboxylate

ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-6-cyano-8-ethylquinoline-3-carboxylate

Refernces

• 1、 Das, Shyamal,Das, Hari Sankar,Singh, Bhagat,Haridasan, Rahul Koottanil,Das, Arpan,Mandal, Swadhin K.. "Catalytic Reduction of Nitriles by Polymethylhydrosiloxane Using a Phenalenyl-Based Iron(III) Complex". supporting information. p. 11274 - 11278. Retrieved 2019/09/10.
• 2、 -. "PROCESS FOR THE PREPARATION OF (S)-4-[(3-CHLORO-4-METHOXYBENZYL)AMINO]-2-[2- (HYDROXYMETHYL)-1-PYRROLIDINYL]-N-(2-PYRIMIDINYL METHYL-5-PYRIMIDINE CARBOXAMIDE". Page/Page column 21. . Retrieved 2015/01/16.