(1,3,4,9-Tetrahydro-b-carbolin-2-yl)-acetic acid methyl ester

Base Information

• Chemical Name: (1,3,4,9-Tetrahydro-b-carbolin-2-yl)-acetic acid methyl ester
• CAS No.: 121911-03-3
• Molecular Formula: C14H16 N2 O2
• Molecular Weight: 244.29
• DSSTox Substance ID: DTXSID20558896
• Nikkaji Number: J2.526.191G
• Wikidata: Q82441366
• Mol file: 121911-03-3.mol

Synonyms:121911-03-3;(1,3,4,9-Tetrahydro-b-carbolin-2-yl)-acetic acid methyl ester;methyl 2-(3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)acetate;methyl 2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)acetate;DTXSID20558896;WEA91103;MFCD06796536;2H-Pyrido[3,4-b]indole-2-acetic acid, 1,3,4,9-tetrahydro-, methyl ester;AKOS026670521;AS-35028;CS-0172525;A13964;Methyl (1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)acetate;(1,3,4,9-tetrahydro-b-carbolin-2-yl)-acetic acidmethyl ester;(1,3,4,9-tetrahydro-b-carbolin-2-yl)acetic acid methyl ester;(1,3,4,9-tetrahydro-beta-carbolin-2-yl)-acetic acid methyl ester;Methyl2-(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)acetate;methyl2-(3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)acetate

Chemical Property of (1,3,4,9-Tetrahydro-b-carbolin-2-yl)-acetic acid methyl ester

Chemical Property:

• Vapor Pressure: 1.43E-06mmHg at 25°C
• Refractive Index: 1.627
• Boiling Point: 398.9°Cat760mmHg
• Flash Point: 195°C
• PSA: 45.33000
• Density: 1.238g/cm³
• LogP: 1.63690
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 244.121177757
• Heavy Atom Count: 18
• Complexity: 321

Purity/Quality:

97% ^*data from raw suppliers

(1,3,4,9-Tetrahydro-b-carbolin-2-yl)-aceticAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CN1CCC2=C(C1)NC3=CC=CC=C23

Technology Process of (1,3,4,9-Tetrahydro-b-carbolin-2-yl)-acetic acid methyl ester

There total 1 articles about (1,3,4,9-Tetrahydro-b-carbolin-2-yl)-acetic acid methyl ester 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: 71.0%

tetrahydrobetacarboline (16502-01-5) + bromoacetic acid methyl ester (96-32-2) → methyl 1,2,3,4-tetrahydrocarboline-2-ylacetate (121911-03-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 4h;

DOI:10.1002/jhet.5570440621

Reference yield: 71.0%

2-azido-3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one + methyl 1,2,3,4-tetrahydrocarboline-2-ylacetate (121911-03-3) → methyl 1-(4-chlorophenyl)-1a-(4-methoxybenzoyl)-1a,2,4,5,10,10b-hexahydro-1H-azirino[1'',2'':3',4']imidazo[1',2':1,2]pyrido[3,4-b]indole-2-carboxylate

Guidance literature:

With tert.-butylhydroperoxide; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; In toluene; acetonitrile; at 20 ℃; for 24h; Irradiation;

DOI:10.1021/acs.orglett.6b01321

Reference yield: 69.0%

2-azido-1-(4-methoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one + methyl 1,2,3,4-tetrahydrocarboline-2-ylacetate (121911-03-3) → methyl 1a-(4-methoxybenzoyl)-1-(4-nitrophenyl)-1a,2,4,5,10,10b-hexahydro-1H-azirino[1'',2'':3',4']imidazo[1',2':1,2]pyrido[3,4-b]indole-2-carboxylate

Guidance literature:

With tert.-butylhydroperoxide; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; In toluene; acetonitrile; at 20 ℃; for 24h; Irradiation;

DOI:10.1021/acs.orglett.6b01321

upstream raw materials:

tetrahydrobetacarboline

bromoacetic acid methyl ester