2,3,4,5-Tetrahydro-1H-pyrido[4,3-b]indole

Base Information

• Chemical Name: 2,3,4,5-Tetrahydro-1H-pyrido[4,3-b]indole
• CAS No.: 6208-60-2
• Molecular Formula: C11H12 N2
• Molecular Weight: 172.23
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50352329
• Nikkaji Number: J2.335.135H
• Wikidata: Q72506796
• ChEMBL ID: CHEMBL269074
• Mol file: 6208-60-2.mol

Synonyms:2,3,4,5-Tetrahydro-1H-pyrido[4,3-b]indole;6208-60-2;2,3,4,5-Tetrahydro-1h-pyrido[4,3,b]indole;1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-;MFCD00464648;1H,2H,3H,4H,5H-pyrido[4,3-b]indole;MLS001198355;SMR000559186;SR-01000530765;Oprea1_367545;SCHEMBL169954;D-LUCIFERINPOTASSIUMSALT;CHEMBL269074;BDBM73071;AMY9125;DTXSID50352329;cid_11572011;RPROHCOBMVQVIV-UHFFFAOYSA-N;STK500458;AKOS000301354;AB06219;AC-7332;CS-W000373;BS-13782;PD180118;SY005757;2,3,4,5-Tetrahydro-1H-pyrido4,3-bindole;BB 0218392;EU-0085916;FT-0636024;EN300-25330;1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indole;A833573;J-506856;J-803067;SR-01000530765-3;Z203053856;2,3,4,5-tetrahydro-1H-pyrid[4,3-b]indole;hydrochloride;2,3,4,5-Tetrahydro-1H-pyrido[4,3-b]indole, AldrichCPR

Chemical Property of 2,3,4,5-Tetrahydro-1H-pyrido[4,3-b]indole

Chemical Property:

• Vapor Pressure: 4.05E-05mmHg at 25°C
• Boiling Point: 351.6°C at 760 mmHg
• PKA: 17.77±0.20(Predicted)
• Flash Point: 166.5°C
• PSA: 27.82000
• Density: 1.189g/cm³
• LogP: 2.14240
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 172.100048391
• Heavy Atom Count: 13
• Complexity: 193

Purity/Quality:

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

2,3,4,5-Tetrahydro-1H-pyrido[4,3-b]indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC2=C1NC3=CC=CC=C23

Technology Process of 2,3,4,5-Tetrahydro-1H-pyrido[4,3-b]indole

There total 14 articles about 2,3,4,5-Tetrahydro-1H-pyrido[4,3-b]indole 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: 93.0%

2-benzyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (6208-43-1) → 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (6208-60-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; water; at 70 ℃; for 24h; under 760.051 Torr;

DOI:10.1021/jm200773h

Reference yield: 89.0%

N,N'-di-p-toluenesulfonyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole → 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (6208-60-2)

Guidance literature:

With diphenylphosphane; potassium hydroxide; In dimethyl sulfoxide; at 90 ℃; for 2h; Sealed tube; Inert atmosphere;

Reference yield: 89.0%

ethyl 1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate (63277-54-3) → 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (6208-60-2)

Guidance literature:

With ethanol; potassium hydroxide; for 24h; Reflux;

upstream raw materials:

ethyl 1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate

γ-carboline

phenylhydrazine hydrochloride

N-ethoxycarbonyl-4-piperidone

Downstream raw materials:

benzyl 3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate

2-(3-[3-fluoro-5-(4-methoxytetrahydro-4H-4-pyranyl)phenoxy]propyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

tert-butyl 5-(4-(methoxycarbonyl)benzyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate

methyl 4-((3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)methyl)benzoate

Refernces

• 1、 -. "METHODS AND MATERIALS FOR INCREASING OR MAINTAINING NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE-2 (NMNAT2) POLYPEPTIDE LEVELS". Page/Page column 187. . Retrieved 2020/09/08.
• 2、 Ye, Jinxiang,Lin, Yuqi,Liu, Qing,Xu, Dekang,Wu, Fan,Liu, Bin,Gao, Yu,Chen, Haijun. "Biomimetic Oxidative Coupling Cyclization Enabling Rapid Construction of Isochromanoindolenines". supporting information. p. 5457 - 5460. Retrieved 2018/09/13.