2H-1,4-Benzothiazine-7-propanoic acid, alpha-amino-3-carboxy-3,4-dihydro-5-hydroxy-

Base Information

• Chemical Name: 2H-1,4-Benzothiazine-7-propanoic acid, alpha-amino-3-carboxy-3,4-dihydro-5-hydroxy-
• CAS No.: 30612-54-5
• Molecular Formula: C₁₂H₁₄N₂O₅S
• Molecular Weight: 298.32
• DSSTox Substance ID: DTXSID70952880
• Mol file: 30612-54-5.mol

Synonyms:7-(3-carboxy-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazinyl)alanine;7-DBA;DHBTCA

Chemical Property of 2H-1,4-Benzothiazine-7-propanoic acid, alpha-amino-3-carboxy-3,4-dihydro-5-hydroxy-

Chemical Property:

• Vapor Pressure: 4.33E-16mmHg at 25°C
• Boiling Point: 617.2°C at 760 mmHg
• PKA: 2.16±0.10(Predicted)
• Flash Point: 327.1°C
• PSA: 158.18000
• Density: 1.566g/cm³
• LogP: 1.15570
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 298.06234272
• Heavy Atom Count: 20
• Complexity: 394

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(NC2=C(C=C(C=C2S1)CC(C(=O)O)N)O)C(=O)O

Technology Process of 2H-1,4-Benzothiazine-7-propanoic acid, alpha-amino-3-carboxy-3,4-dihydro-5-hydroxy-

There total 2 articles about 2H-1,4-Benzothiazine-7-propanoic acid, alpha-amino-3-carboxy-3,4-dihydro-5-hydroxy- 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:

5-Cystein-S-yldopa (25565-25-7) → 7-(2-amino-2-carboxy-ethyl)-5-hydroxy-3,4-dihydro-2H-benzo[1,4]thiazine-3-carboxylic acid (30612-54-5) + 2-Amino-3-(5-hydroxy-3,4-dihydro-2H-benzo[1,4]thiazin-7-yl)-propionic acid

Guidance literature:

With sodium tetrahydroborate; dihydrogen peroxide; peroxidase; Product distribution; Mechanism; deuterium labelling;

DOI:10.1016/S0040-4039(00)73434-4

Reference yield:

→ 7-(2-amino-2-carboxy-ethyl)-5-hydroxy-3,4-dihydro-2H-benzo[1,4]thiazine-3-carboxylic acid (30612-54-5)

Guidance literature:

5-S-Cysteinyldopa, Pilz-Polyphenoloxidase, anschl. Stoppen der Rk. mit Na2SO4;

DOI:10.1007/BF02112669

upstream raw materials:

5-Cystein-S-yldopa