3-(1,2,3,4-Tetrahydro-carbazol-9-yl)-propionic acid

Base Information

• Chemical Name: 3-(1,2,3,4-Tetrahydro-carbazol-9-yl)-propionic acid
• CAS No.: 23690-80-4
• Molecular Formula: C15H17 N O2
• Molecular Weight: 243.305
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10354667
• Wikidata: Q72505416
• ChEMBL ID: CHEMBL1531040
• Mol file: 23690-80-4.mol

Synonyms:23690-80-4;3-(1,2,3,4-Tetrahydro-carbazol-9-yl)-propionic acid;3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propanoic acid;3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid;3-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)propanoic acid;CBMicro_003659;Oprea1_369853;Oprea1_600938;MLS000523274;SCHEMBL8773238;CHEMBL1531040;DTXSID10354667;HMS2418K21;SMSF0003186;tetrahydro-9-carbazolepropanoic acid;BBL009270;MFCD00612545;STK500599;AKOS000265438;CB05426;SMR000123252;VS-02037;BIM-0003523.P001;BB 0218167;VU0162954-3;EN300-235930;SR-01000388372;SR-01000388372-1;3-(1,2,3,4-Tetrahydro-carbazol-9-yl)propanoic acid;3-(3,4-Dihydro-1H-carbazol-9(2H)-yl)propanoic acid;F0275-0041

Chemical Property of 3-(1,2,3,4-Tetrahydro-carbazol-9-yl)-propionic acid

Chemical Property:

• Vapor Pressure: 9.06E-10mmHg at 25°C
• Refractive Index: 1.637
• Boiling Point: 473.4°C at 760 mmHg
• Flash Point: 240.1°C
• PSA: 42.23000
• Density: 1.25g/cm³
• LogP: 2.99480
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 243.125928785
• Heavy Atom Count: 18
• Complexity: 318

Purity/Quality:

98%Min ^*data from raw suppliers

3-(1,2,3,4-Tetrahydro-carbazol-9-yl)-propionic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C3=CC=CC=C3N2CCC(=O)O

Technology Process of 3-(1,2,3,4-Tetrahydro-carbazol-9-yl)-propionic acid

There total 8 articles about 3-(1,2,3,4-Tetrahydro-carbazol-9-yl)-propionic 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: 80.0%

3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propionitrile (24115-51-3) → cyclohexanindole N-β-propionic acid (23690-80-4)

Guidance literature:

With hydrogenchloride; for 2h; Heating;

DOI:10.1023/B:RUJO.0000003169.96393.1d

Reference yield:

1,2,3,4-tetrahydrocarbazole (942-01-8) → cyclohexanindole N-β-propionic acid (23690-80-4)

Guidance literature:

Multi-step reaction with 2 steps

1: benzyl-trimethyl-ammonium hydroxide

2: ethanolic NaOH-solution

With sodium hydroxide; N-benzyl-trimethylammonium hydroxide;

DOI:10.1021/ja01165a544

Reference yield:

1,2,3,4-tetrahydrocarbazole (942-01-8) → cyclohexanindole N-β-propionic acid (23690-80-4)

Guidance literature:

Multi-step reaction with 2 steps

1: NaH / diethyl ether

2: H₂O

With water; sodium hydride; In diethyl ether;

DOI:10.1139/v86-300

upstream raw materials:

3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propionitrile

cyclohexanone

phenylhydrazine

1,2,3,4-tetrahydrocarbazole

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