3-Chloro-4-methoxybenzenemethanamine

Base Information

• Chemical Name: 3-Chloro-4-methoxybenzenemethanamine
• CAS No.: 115514-77-7
• Molecular Formula: C8H10ClNO
• Molecular Weight: 171.626
• Hs Code.: 2922299090
• European Community (EC) Number: 673-312-3
• DSSTox Substance ID: DTXSID80353309
• Nikkaji Number: J1.366.349A
• Wikidata: Q72453017
• Mol file: 115514-77-7.mol

Synonyms:115514-77-7;3-chloro-4-methoxybenzenemethanamine;3-chloro-4-methoxybenzylamine;(3-chloro-4-methoxyphenyl)methanamine;3-Chloro-4-methoxy-benzylamine;Benzenemethanamine, 3-chloro-4-methoxy-;3-chloro4-methoxybenzylamine;MFCD00995395;1-(3-CHLORO-4-METHOXYPHENYL)METHANAMINE;(3-chloro-4-methoxyphenyl)methylamine;(3-chloro-4-methoxy-phenyl)methanamine;Oprea1_202899;Oprea1_849988;SCHEMBL506373;3-chloro-4-methoxy benzylamine;DTXSID80353309;OCNMSDZALRAYEX-UHFFFAOYSA-N;AMY20272;AKOS005263774;FS-1407;SB30884;SY019708;3-chloro-4-methoxy-benzylamine, AldrichCPR;BB 0257191;C3634;CS-0342887;FT-0694269;EN300-110476;A803443;J-003298;Z815287230

Chemical Property of 3-Chloro-4-methoxybenzenemethanamine

Chemical Property:

• Vapor Pressure: 0.0102mmHg at 25°C
• Refractive Index: 1.549
• Boiling Point: 263.5 °C at 760 mmHg
• PKA: 9.01±0.10(Predicted)
• Flash Point: 113.2 °C
• PSA: 35.25000
• Density: 1.18 g/cm³
• LogP: 2.50760
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 171.0450916
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CN)Cl
• Uses: 3-Chloro-4-methoxybenzylamine is a reagent in the synthesis of avanafil (A794670) which is used for the treatment of erectile dysfunction.

Technology Process of 3-Chloro-4-methoxybenzenemethanamine

There total 4 articles about 3-Chloro-4-methoxybenzenemethanamine 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: 80.0%

C14H20ClN4O(1+)*Cl(1-) → (3-chloro-4-methoxyphenyl)methanamine (115514-77-7)

Guidance literature:

With hydrogenchloride; at 50 ℃; for 1h;

Reference yield: 34.0%

4-methoxy-benzylamine (2393-23-9) → (3-chloro-4-methoxyphenyl)methanamine (115514-77-7)

Guidance literature:

With chlorine; In acetic acid; for 1h; Ambient temperature;

DOI:10.1021/jm00118a012

Reference yield:

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride (41965-95-1) → (3-chloro-4-methoxyphenyl)methanamine (115514-77-7)

Guidance literature:

With sodium hydroxide; In water; toluene; at 25 - 30 ℃;

upstream raw materials:

4-methoxy-benzylamine

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride

3-chloro-4-methoxybenzyl alcohol

Downstream raw materials:

methyl 3-[4-(3-chloro-4-methoxybenzylamino)benzothieno-[2,3-d]pyrimidin-2-yl]propionate

4-(aminomethyl)-2-chlorophenol hydrobromide

2-fluoro-5-nitro-N-(1,3-benzodioxol-5-ylmethyl)benzamide

N-(3-chloro-4-methoxybenzyl)-2-fluoro-5-(trifluoromethyl)benzamide

Refernces

• 1、 -. "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; 22. . Retrieved 2015/01/16.
• 2、 Charifson,Wyrick,Hoffman,Ademe Simmons,Bowen,McDougald,Mailman. "Synthesis and pharmacological characterization of 1-phenyl-, 4-phenyl-, and 1-benzyl-1,2,3,4-tetrahydroisoquinolines as dopamine receptor ligands". . p. 1941 - 1946. Retrieved 2007/10/02.