1H-Pyrido[3,4-b]indole-1-acetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-2,3,4,9-tetrahydro-, methyl ester

Base Information

Chemical Name:1H-Pyrido[3,4-b]indole-1-acetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-2,3,4,9-tetrahydro-, methyl ester
CAS No.:256407-56-4
Molecular Formula:C₁₉H₂₄N₂O₄
Molecular Weight:344.411
Hs Code.:
DSSTox Substance ID:DTXSID10454055
Mol file:256407-56-4.mol

Synonyms:256407-56-4;1H-Pyrido[3,4-b]indole-1-acetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-2,3,4,9-tetrahydro-, methyl ester;DTXSID10454055;AKOS015962512;AC-17178;1H-Pyrido[3,4-b]indole-1-acetic acid,2-[(1,1-dimethylethoxy)carbonyl]-2,3,4,9-tetrahydro-,methyl ester;1H-PYRIDO[3,4-B]INDOLE-1-ACETICACID,2-[(1,1-DIMETHYLETHOXY)CARBONYL]-2,3,4,9-TETRAHYDRO-,METHYLESTER

Suppliers and Price of 1H-Pyrido[3,4-b]indole-1-acetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-2,3,4,9-tetrahydro-, methyl ester

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2-((1,1-DIMETHYLETHOXY)CARBONYL)-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOLE-1-ACETIC ACID METHYL ESTER 95.00%
5MG
$ 504.25

Total 4 raw suppliers

Chemical Property of 1H-Pyrido[3,4-b]indole-1-acetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-2,3,4,9-tetrahydro-, methyl ester

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.581
Boiling Point:490.439°C at 760 mmHg
Flash Point:250.409°C
PSA：71.63000
Density:1.211g/cm³
LogP:3.50320
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:344.17360725
Heavy Atom Count:25
Complexity:516

Purity/Quality:

97% ^*data from raw suppliers

2-((1,1-DIMETHYLETHOXY)CARBONYL)-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOLE-1-ACETIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCC2=C(C1CC(=O)OC)NC3=CC=CC=C23

Technology Process of 1H-Pyrido[3,4-b]indole-1-acetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-2,3,4,9-tetrahydro-, methyl ester

There total 6 articles about 1H-Pyrido[3,4-b]indole-1-acetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-2,3,4,9-tetrahydro-, 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:

: 24424-99-5
di-tert-butyl dicarbonate

: 61756-61-4
(1RS)-1,2,3,4-tetrahydro-1-<(methoxycarbonyl)methyl>-β-carboline

: 256407-56-4
tert-butyl 1-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxylate

Guidance literature:: In dichloromethane; at 20 ℃; for 0.5h;
DOI:10.1016/S0040-4039(99)01921-8

Reference yield:

: 61-54-1
tryptamine

: 256407-56-4
tert-butyl 1-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxylate

Guidance literature:: Multi-step reaction with 5 steps

1.1: toluene

2.1: NaBH₄ / methanol

3.1: methanol

3.2: 90 percent / CF₃CO₂H / CH₂Cl₂

4.1: H₂ / 10 percent Pd/C / acetic acid / 15 h / 825.07 Torr

5.1: CH₂Cl₂ / 0.5 h / 20 °C

With sodium tetrahydroborate; hydrogen; palladium on activated charcoal; In methanol; dichloromethane; acetic acid; toluene; 1.1: Condensation / 2.1: Reduction / 3.1: Addition / 3.2: Cyclization / 4.1: Hydrogenation / 5.1: Acylation;
DOI:10.1016/S0040-4039(99)01921-8

Reference yield:

: 15741-79-4
N-benzyl tryptamine

: 256407-56-4
tert-butyl 1-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1.1: methanol

1.2: 90 percent / CF₃CO₂H / CH₂Cl₂

2.1: H₂ / 10 percent Pd/C / acetic acid / 15 h / 825.07 Torr

3.1: CH₂Cl₂ / 0.5 h / 20 °C

With hydrogen; palladium on activated charcoal; In methanol; dichloromethane; acetic acid; 1.1: Addition / 1.2: Cyclization / 2.1: Hydrogenation / 3.1: Acylation;
DOI:10.1016/S0040-4039(99)01921-8