N-Methylhomoveratrylamine

Base Information

• Chemical Name: N-Methylhomoveratrylamine
• CAS No.: 3490-06-0
• Molecular Formula: C11H17 N O2
• Molecular Weight: 195.261
• Hs Code.: 29222990
• European Community (EC) Number: 222-483-9
• NSC Number: 187772
• UNII: 5H5ZH95EHG
• DSSTox Substance ID: DTXSID70188460
• Nikkaji Number: J216.153B
• Wikidata: Q27262167
• Metabolomics Workbench ID: 123447
• ChEMBL ID: CHEMBL1404381
• Mol file: 3490-06-0.mol

Synonyms:N-Methylhomoveratrylamine;3490-06-0;2-(3,4-dimethoxyphenyl)-N-methylethanamine;2-(3,4-Dimethoxyphenyl)-N-methylethylamine;3,4-Dimethoxy-N-methylphenethylamine;Benzeneethanamine, 3,4-dimethoxy-N-methyl-;N-Methyl homoveratrylamine;UNII-5H5ZH95EHG;5H5ZH95EHG;2-(3,4-DIMETHOXYPHENYL)-N-METHYLETHAN-1-AMINE;EINECS 222-483-9;NSC 187772;NSC-187772;EC 222-483-9;N-methyl-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-amine;N-methyl-N-[2-(3,4-dimethoxy-phenyl)-ethyl]-amine;[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amine;NSC187772;N-methyl-homoveratrylamine;[2-(3,4-Dimethoxyphenyl)Ethyl](Methyl)Amine;N-methyl-homoveratryl amine;O(C)c1cc(CCNC)ccc1OC;MLS000516034;BIDD:GT0513;SCHEMBL557799;N-Methylhomoveratrylamine, 97%;CHEMBL1404381;DTXSID70188460;HMS2269O14;AKOS BBS-00006509;MFCD00067696;n-methyl-3,4-dimethoxyphenethylamine;STL373398;AKOS000271141;3,4-Dimethoxy-N-methylbenzenethanamine;3,4-dimethoxyphenylethyl-N-methylamine;FD10469;3,4-Dimethoxy-N-methylbenzeneethanamine;3,4-dimethoxyphenylethyl-N-methyl-amine;N-methyl-3,4-dimethoxybenzeneethanamine;2-(3,4-dimethoxyphenyl)ethylmethylamine;NCGC00247003-01;2-(3,4-dimethoxyphenyl)ethylmethyl-amine;AS-48860;SMR000112502;N-(3,4-dimethoxyphenylethyl)-N-methylamine;D2104;FT-0667370;N-(3,4-dimethoxy-phenylethyl)-N-methylamine;EN300-20597;N-Methyl-2-(3,4-dimethoxyphenyl)-ethylamine;N-(3,4-dimethoxy-phenylethyl)-N-methyl-amine;N-methyl-(2-(3,4-dimethoxyphenyl)ethyl)amine;AB00666237-06;N-(3,4-dimethoxy-phenyl ethyl)-N-methyl amine;A822460;N-(3,4-DIMETHOXYPHENETHYL)-N-METHYLAMINE;N-[2-(3,4-dimethoxyphenyl)-ethyl]-N-methylamine;N-[2-(3,4-Dimethoxyphenyl)ethyl]-N-methylamine #;N-methyl-N-[2-(3,4-dimethoxyphenyl)-ethyl]-amine;N-methyl-N[2-(3,4-dimethoxy-phenyl)-ethyl]-amine;W-106700;Q27262167;VERAPAMIL HYDROCHLORIDE IMPURITY B [EP IMPURITY]

Chemical Property of N-Methylhomoveratrylamine

Chemical Property:

• Vapor Pressure: 0.00163mmHg at 25°C
• Refractive Index: n20/D 1.533(lit.)
• Boiling Point: 294.4°Cat760mmHg
• PKA: 10.16±0.10(Predicted)
• Flash Point: >110 ºC
• PSA: 30.49000
• Density: 1.059
• LogP: 1.85660
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 195.125928785
• Heavy Atom Count: 14
• Complexity: 152

Purity/Quality:

99.9% ^*data from raw suppliers

2-(3,4-Dimethoxyphenyl)-N-methylethylamine >95.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCC1=CC(=C(C=C1)OC)OC
• Uses: Fundamental synthetic intermediate, N-Methylhomoveratrylamine can be used for the preparation of a variety of biologically active compounds.

Technology Process of N-Methylhomoveratrylamine

There total 31 articles about N-Methylhomoveratrylamine 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: 95.1%

1-(3,4-dimethoxy-phenyl)-2-methylamino-ethanone; hydrochloride (40511-15-7) → N-methylhomoveratrylamine (3490-06-0) + 1-(3,4-dimethoxyphenyl)-2-(methylamino)ethan-1-ol (5653-66-7)

Guidance literature:

1-(3,4-dimethoxy-phenyl)-2-methylamino-ethanone; hydrochloride; With hydrogen; 5%-palladium/activated carbon; In water; at 75 ℃; for 16 - 40h; under 2585.81 Torr;

With sodium hydroxide; In water; toluene; pH=12; Product distribution / selectivity;

Reference yield: 90.0%

methanesulphonic acid,2-(3,4-dimethoxyphenyl)ethyl ester (75803-23-5) + methylamine (74-89-5) → N-methylhomoveratrylamine (3490-06-0)

Guidance literature:

methanesulphonic acid,2-(3,4-dimethoxyphenyl)ethyl ester; methylamine; In methanol; water; at 140 ℃; for 0.166667h; under 15514.9 Torr; Flow reactor;

With potassium hydroxide; In water;

DOI:10.1021/acs.oprd.0c00193

Reference yield: 90.0%

N-[2-(3,4-dimethoxyphenyl)ethyl]formamide (14301-36-1) → N-methylhomoveratrylamine (3490-06-0)

Guidance literature:

With sodium tetrahydroborate; boron trifluoride diethyl etherate; In tetrahydrofuran; 1) room temperature, 1 h; 2) reflux, 3 h;

DOI:10.1135/cccc19950894

upstream raw materials:

N-[2-(3,4-dimethoxyphenyl)ethyl]formamide

(3,4-dimethoxy-phenyl)-thioacetic acid methylamide

benzaldehyde

2-(3,4-dimethoxyphenyl)-ethylamine

Downstream raw materials:

N-methyl-N-benzyl-3,4-dimethoxyphenethylamine

(3,4-dimethoxy-phenethyl)-trimethyl-ammonium; iodide

Ro 10-7004

(S)-verapamil

Refernces

• 1、 -. "Tetrabenazine intermediate as well as synthesis method and application thereof as, well as intermediate product for synthesis (by machine translation)". Paragraph 0082; 0085; 0088; 0091; 0094; 0097; 0100; 0103. . Retrieved 2020/02/14.
• 2、 Crestey, Fran?ois,Jensen, Anders A.,Borch, Morten,Andreasen, Jesper Tobias,Andersen, Jacob,Balle, Thomas,Kristensen, Jesper Langgaard. "Design, synthesis, and biological evaluation of Erythrina alkaloid analogues as neuronal nicotinic acetylcholine receptor antagonists". . p. 9673 - 9682. Retrieved 2014/01/06.