3-Aminomethyl harmane

Base Information

Chemical Name:3-Aminomethyl harmane
CAS No.:63885-91-6
Molecular Formula:C13H13 N3
Molecular Weight:211.266
Hs Code.:
DSSTox Substance ID:DTXSID80980735
Nikkaji Number:J85.788B
Wikidata:Q82966747

Synonyms:3-Aminomethyl harmane;GPA 220;63885-91-6;(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methanamine;BRN 0747890;9H-Pyrido(3,4-b)indole, 3-aminomethyl-1-methyl-;DTXSID80980735;GPA-220;LS-133415;CS-0254053;9H-Pyrido[3,4-b]indole-3-methanamine, 1-methyl-;1-(1-Methyl-9H-pyrido[3,4-b]indol-3-yl)methanamine

Suppliers and Price of 3-Aminomethyl harmane

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-Aminomethyl harmane

Chemical Property:

Vapor Pressure:8.47E-08mmHg at 25°C
Boiling Point:435.9°Cat760mmHg
Flash Point:247.4°C
PSA：54.70000
Density:1.276g/cm³
LogP:3.18350
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:211.110947427
Heavy Atom Count:16
Complexity:256

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NC(=CC2=C1NC3=CC=CC=C32)CN

Technology Process of 3-Aminomethyl harmane

There total 5 articles about 3-Aminomethyl harmane 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: 61.0%

: 3-(azidomethyl)-1-methyl-9H-pyrido[3,4-b]indole

: 63885-91-6
(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methanamine

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 2h;
DOI:10.1016/j.ejmech.2021.113687

Reference yield:

: 16641-82-0
1-methyl-β-carboline-3-carboxylic acid methyl ester

: 63885-91-6
(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methanamine

Guidance literature:: Multi-step reaction with 3 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 1 h / 20 °C

2: 2-azido-1,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium hexafluorophosphate (V); 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran / 0.5 h / 0 °C

3: palladium 10% on activated carbon; hydrogen / methanol / 2 h / 20 °C

With lithium aluminium tetrahydride; 2-azido-1,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium hexafluorophosphate (V); palladium 10% on activated carbon; hydrogen; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; methanol;
DOI:10.1016/j.ejmech.2021.113687

Reference yield:

: 7303-49-3
DL-tryptophan methyl ester

: 63885-91-6
(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methanamine

Guidance literature:: Multi-step reaction with 4 steps

1.1: trifluoroacetic acid / dichloromethane; water / 18 h / 20 °C

1.2: 0.42 h / 150 °C / Microwave irradiation

2.1: lithium aluminium tetrahydride / tetrahydrofuran / 1 h / 20 °C

3.1: 2-azido-1,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium hexafluorophosphate (V); 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran / 0.5 h / 0 °C

4.1: palladium 10% on activated carbon; hydrogen / methanol / 2 h / 20 °C

With lithium aluminium tetrahydride; 2-azido-1,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium hexafluorophosphate (V); palladium 10% on activated carbon; hydrogen; 1,8-diazabicyclo[5.4.0]undec-7-ene; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane; water;
DOI:10.1016/j.ejmech.2021.113687