2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate

Base Information

• Chemical Name: 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate
• CAS No.: 6052-68-2
• Molecular Formula: C12H12 N2 O2
• Molecular Weight: 216.239
• Hs Code.: 2933990090
• Mol file: 6052-68-2.mol

Synonyms:2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate;1H-pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-

Chemical Property of 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate

Chemical Property:

• Vapor Pressure: 3.22E-10mmHg at 25°C
• Melting Point: 289 °C (dec.)(lit.)
• Boiling Point: 485°C at 760 mmHg
• PKA: 2.28±0.20(Predicted)
• Flash Point: 247.1°C
• PSA: 65.12000
• Density: 1.377g/cm³
• LogP: 1.59560
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 216.089877630
• Heavy Atom Count: 16
• Complexity: 289

Purity/Quality:

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

2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C([NH2+]CC2=C1C3=CC=CC=C3N2)C(=O)[O-]

Technology Process of 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate

There total 1 articles about 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + L-tryptophan (73-22-3,6912-86-3,54-12-6,153-94-6,63148-28-7,65556-72-1,27732-43-0,80206-30-0,27813-82-7) → L-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (6052-68-2,41509-88-0,42438-90-4,72002-54-1)

Guidance literature:

With sulfuric acid; In water; for 2h; Yield given; Ambient temperature;

Reference yield: 91.0%

phenyl isothiocyanate (103-72-0) + 1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (6052-68-2) → 1-Oxo-2-phenyl-5,6,11,11a-tetrahydro-1H-imidazo<1',5':1,6>pyrido<3,4-b>indole-3(2H)-thione

Guidance literature:

In dimethyl sulfoxide; acetone; Heating;

DOI:10.1021/jo00085a054

Reference yield: 82.0%

1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (6052-68-2) → betacarboline (244-63-3)

Guidance literature:

With tetrasodium cobalt(II) 4,4',4'',4'''-tetrasulphophthalocyanine; In ethanol; water; ethyl acetate; at 20 ℃; for 24h; Irradiation; Green chemistry;

DOI:10.1039/d0gc00569j

upstream raw materials:

formaldehyd

L-tryptophan

Downstream raw materials:

ethyl 1,2,3,4-tetrahydro-β-carboline-3-carboxylate

1,2,3,3aα,,4α,6,7,12,12aβ,12bα-decahydro-2-methyl-4-phenylpyrrolo<3',4':1,2>indolizino<5,7-b>indole-1,3-dione

1,2,3,3aα,,4β,6,7,12,12aα,12bα-decahydro-2-methyl-4-phenylpyrrolo<3',4':1,2>indolizino<5,7-b>indole-1,3-dione

methyl L-1,2,3,4-tetrahydro-β-carboline-3-carboxylate

Refernces