tert-butyl 9H-pyrido[3,4-b]indole-3-carboxylate

Base Information

Chemical Name:tert-butyl 9H-pyrido[3,4-b]indole-3-carboxylate
CAS No.:93835-05-3
Molecular Formula:C₁₆H₁₆N₂O₂
Molecular Weight:268.315
Hs Code.:2933990090
DSSTox Substance ID:DTXSID10917695
Nikkaji Number:J341.650J
Wikidata:Q82889364
Pharos Ligand ID:V8VQ4MPZ8UHH
ChEMBL ID:CHEMBL307783
Mol file:93835-05-3.mol

Synonyms:3-carbo-t-butoxy-beta-carboline;3-carboxy-tert-butoxy-beta-carboline;beta-carboline-3-carboxylate t-butyl ester;beta-carboline-3-carboxylate-t-butyl ester;beta-CCT;beta-CCtB;tert-butyl beta-carboline-3-carboxylate

Suppliers and Price of tert-butyl 9H-pyrido[3,4-b]indole-3-carboxylate

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

TRC
tert-Butylβ-Carboline-3-carboxylate
25mg
$ 320.00

Sigma-Aldrich
βCCt ≥98%(HPLC)
5 mg
$ 108.00

Total 9 raw suppliers

Chemical Property of tert-butyl 9H-pyrido[3,4-b]indole-3-carboxylate

Chemical Property:

Vapor Pressure:5.25E-09mmHg at 25°C
Boiling Point:470°Cat760mmHg
Flash Point:238.1°C
PSA：54.98000
Density:1.238g/cm³
LogP:3.67140
Storage Temp.:2-8°C
Solubility.:DMSO: ≥10mg/mL
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:268.121177757
Heavy Atom Count:20
Complexity:377

Purity/Quality:

98%,99%, ^*data from raw suppliers

tert-Butylβ-Carboline-3-carboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2
Uses βCCt acts as an α1selective antagonist and benzodiazepine mixed agonist/antagonist. βCCt has been shown to reduce alcohol self-administration in alcohol preferring (P) and high alcohol drinking (HAD) rats.

Technology Process of tert-butyl 9H-pyrido[3,4-b]indole-3-carboxylate

There total 10 articles about tert-butyl 9H-pyrido[3,4-b]indole-3-carboxylate 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%

: 1,2,3,4-tetrahydro β-carboline 3-carboxylic acid t-butyl ester

: 93835-05-3
3-tert-butoxycarbonyl-β-carboline

Guidance literature:: With manganese(IV) oxide; In benzene; Heating;

Reference yield: 70.0%

: 110521-96-5
3-(imidazole)carbonyl-β-carboline

: 75-65-0
tert-butyl alcohol

: 93835-05-3
3-tert-butoxycarbonyl-β-carboline

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; at 80 - 85 ℃; for 18h;
DOI:10.1016/j.tetlet.2005.07.022

Reference yield: 55.6%

: 1300728-31-7
tert-butyl 5-[(2-chlorophenyl)amino]picolinate

: 1300728-36-2
tert-butyl 5H-pyrido[3,2-b]indole-2-carboxylate

: 93835-05-3
3-tert-butoxycarbonyl-β-carboline

Guidance literature:: With palladium diacetate; potassium carbonate; tri tert-butylphosphoniumtetrafluoroborate; In N,N-dimethyl acetamide; at 120 ℃; for 16h; regioselective reaction; Inert atmosphere; Sealed vessel;
DOI:10.1021/jo200425m