Benzenemethanamine, 2,3,4-trimethoxy-A-methyl-,(S)-

Base Information

• Chemical Name: Benzenemethanamine, 2,3,4-trimethoxy-A-methyl-,(S)-
• CAS No.: 122078-09-5
• Molecular Formula: C11H17 N O3
• Molecular Weight: 211.26
• DSSTox Substance ID: DTXSID401217480
• Mol file: 122078-09-5.mol

Synonyms:122078-09-5;BENZENEMETHANAMINE, 2,3,4-TRIMETHOXY-A-METHYL-,(S)-;(1S)-1-(2,3,4-trimethoxyphenyl)ethanamine;Benzenemethanamine,2,3,4-trimethoxy-a-methyl-,(S)-;DTXSID401217480;AKOS015911678;EN300-1850914;(1S)-1-(2,3,4-trimethoxyphenyl)ethan-1-amine;Benzenemethanamine, 2,3,4-trimethoxy-alpha-methyl-, (S)-;Benzenemethanamine, 2,3,4-trimethoxy--methyl-, (S)- (9CI)

Chemical Property of Benzenemethanamine, 2,3,4-trimethoxy-A-methyl-,(S)-

Chemical Property:

• Boiling Point: 314.1±42.0 °C(Predicted)
• PKA: 9.26±0.10(Predicted)
• PSA: 53.71000
• Density: 1.063±0.06 g/cm3(Predicted)
• LogP: 2.43240
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 211.12084340
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=C(C(=C(C=C1)OC)OC)OC)N
• Isomeric SMILES: C[C@@H](C1=C(C(=C(C=C1)OC)OC)OC)N

Technology Process of Benzenemethanamine, 2,3,4-trimethoxy-A-methyl-,(S)-

There total 1 articles about Benzenemethanamine, 2,3,4-trimethoxy-A-methyl-,(S)- 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%

(1S,1'S)-N-(1'-phenylethyl)-1-(2'',3'',4''-trimethoxyphenyl)ethylamine (122078-22-2) → (S)-1-(2',3',4'-trimethoxyphenyl)ethylamine (122078-09-5)

Guidance literature:

With hydrogen; ammonium formate; palladium on activated charcoal; In methanol; Heating;

Reference yield:

(S)-1-(2',3',4'-trimethoxyphenyl)ethylamine (122078-09-5) + (±)-1,3-dimethyl-6H-benzo[b]naphtho[1,2-d]pyranone (138435-72-0) → (P,1''S)-1-(2'-Hydroxy-4',6'-dimethylphenyl)-2-naphthoic acid 1''-(2''',3''',4'''-trimethoxyphenyl)ethylamide + (M,1''S)-1-(2'-Hydroxy-4',6'-dimethylphenyl)-2-naphthoic acid 1''-(2''',3''',4'''-trimethoxyphenyl)ethylamide

Guidance literature:

(S)-1-(2',3',4'-trimethoxyphenyl)ethylamine; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 0.5h;

(±)-1,3-dimethyl-6H-benzo[b]naphtho[1,2-d]pyranone; In tetrahydrofuran; at 0 - 20 ℃; for 5h;

DOI:10.1002/(SICI)1521-3765(19991001)5:10<3029::AID-CHEM3029>3.0.CO;2-5

Reference yield:

2,4-dinitrobenzenesulfenyl chloride (528-76-7) + (S)-1-(2',3',4'-trimethoxyphenyl)ethylamine (122078-09-5) + p-toluenesulfonyl chloride (98-59-9) → N-(2,4-dinitrosulfenyl)-4-methyl-N-<1-(2,3,4-trimethoxyphenyl)ethyl>benzenesulfonamide (128134-45-2)

Guidance literature:

With lithium hydroxide; triethylamine; Multistep reaction; 1) CH₂Cl₂, reflux, 2) ether, reflux;

upstream raw materials:

(1S,1'S)-N-(1'-phenylethyl)-1-(2'',3'',4''-trimethoxyphenyl)ethylamine

Downstream raw materials:

N-(2,4-dinitrosulfenyl)-4-methyl-N-<1-(2,3,4-trimethoxyphenyl)ethyl>benzenesulfonamide

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