(3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Base Information

• Chemical Name: (3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
• CAS No.: 827304-63-2
• Molecular Formula: C₁₃H₁₄N₂O₂
• Molecular Weight: 230.266
• DSSTox Substance ID: DTXSID70426016
• Mol file: 827304-63-2.mol

Synonyms:AC1OCD66;827304-63-2;DTXSID70426016

Chemical Property of (3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Chemical Property:

• PSA: 65.12000
• LogP: 2.15660
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 230.105527694
• Heavy Atom Count: 17
• Complexity: 321

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2
• Isomeric SMILES: CC1C2=C(C[C@@H](N1)C(=O)O)C3=CC=CC=C3N2

Technology Process of (3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

There total 34 articles about (3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid 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: 99.0%

(1S,3S)-1-methyl-2-Boc-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid → (1S,3S)-1-methyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (40678-46-4,827304-63-2)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 0 ℃; for 0.5h; under 750.075 Torr; Inert atmosphere;

DOI:10.1016/j.bmcl.2017.10.068

Reference yield: 99.0%

C18H22N2O4 → (-)-(1S,3S)-1-methyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (42438-72-2,827304-63-2)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 0 ℃; for 0.5h; under 750.075 Torr; Inert atmosphere;

DOI:10.1016/j.bmcl.2017.10.068

Reference yield: 98.0%

acetaldehyde (75-07-0,9002-91-9) + L-Tryptophan (73-22-3,27732-43-0,80206-30-0,27813-82-7) → (3S)-1-methyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (191279-37-5,827304-63-2)

Guidance literature:

L-Tryptophan; With sulfuric acid; In water; for 0.166667h;

acetaldehyde; In water; at 20 ℃; for 10h;

upstream raw materials:

acetaldehyde

Trp

L-Tryptophan

2-oxopropanal

Downstream raw materials:

(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methanol

1-methyl-9H-pyrido[3,4-b]indole-3-carbaldehyde