L-beta-Homotryptophan hydrochloride

Base Information

• Chemical Name: L-beta-Homotryptophan hydrochloride
• CAS No.: 192003-01-3
• Molecular Formula: C12H14N2O2
• Molecular Weight: 218.2518
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70940843
• Mol file: 192003-01-3.mol

Synonyms:339994-86-4;L-beta-Homotryptophan hydrochloride;l-beta-homotryptophan hcl;192003-01-3;L-beta-HomoTry-OH.HCl;(3S)-3-amino-4-(1H-indol-3-yl)butanoic acid;hydrochloride;(3S)-3-amino-4-(1H-indol-3-yl)butanoic Acid Hydrochloride;(S)-3-amino-4-(1H-indol-3-yl)butanoic acid hydrochloride;L-|A-HomoTry-OH.HCl;H-Trp-(C#CH2)OH.HCl;SCHEMBL6589062;DTXSID70940843;XALSUNLRNHITKL-FVGYRXGTSA-N;MFCD01862876;AKOS025401550;AC-22096;AS-47154;1H-Indole-3-butanoicacid,b-amino-,(bs)-;CS-0060575;F12357;(S)-4-(indol-3-yl)-beta-homoalanine hydrochloride;L-beta-Homotryptophan hydrochloride, >=98.0% (TLC);3-Amino-4-(1H-indol-3-yl)butanoic acid--hydrogen chloride (1/1);(S)-2-(1H-indol-3-yl)-1-carboxymethyl-ethylamine hydrochloride salt

Chemical Property of L-beta-Homotryptophan hydrochloride

Chemical Property:

• Vapor Pressure: 2.42E-09mmHg at 25°C
• Refractive Index: 1.673
• Boiling Point: 462.3 °C at 760 mmHg
• PKA: 3.85±0.10(Predicted)
• Flash Point: 233.4 °C
• PSA: 79.11000
• Density: 1.311 g/cm³
• LogP: 3.01470
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 254.0822054
• Heavy Atom Count: 17
• Complexity: 257

Purity/Quality:

99.3% ^*data from raw suppliers

L-beta-Homotryptophan hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CC(CC(=O)O)N.Cl
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](CC(=O)O)N.Cl

Technology Process of L-beta-Homotryptophan hydrochloride

There total 1 articles about L-beta-Homotryptophan hydrochloride 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:

Fmoc-L-β-homotryptophan (353245-98-4) → L-β-homo-tryptophan (192003-01-3,736131-01-4)

Guidance literature:

With piperidine; In dichloromethane; for 6h;

DOI:10.1039/c3ob40215k

Reference yield:

L-β-homo-tryptophan (192003-01-3,736131-01-4) → N-(N-benzoyl-L-β-homotryptophanyl)-D-phenylalanine methyl ester (1435311-01-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / dichloromethane / 6 h

2: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / dichloromethane / 6 h / 20 °C

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In dichloromethane;

DOI:10.1039/c3ob40215k

Reference yield:

L-β-homo-tryptophan (192003-01-3,736131-01-4) + benzoyl chloride (98-88-4) → N-benzoyl-L-β-homotryptophan

Guidance literature:

With sodium hydroxide; In dichloromethane; for 6h;

DOI:10.1039/c3ob40215k

upstream raw materials:

Fmoc-L-β-homotryptophan

Downstream raw materials:

N-(N-benzoyl-L-β-homotryptophanyl)-D-phenylalanine methyl ester

Refernces