111139-55-0

Basic information

• Product Name: 2,4,5-TRIMETHOXYBENZOIC ACID
• Synonyms: D-3-BENZOTHIENYLALANINE;H-D-ALA(M-BZT)-OH;H-D-ALA(3-BZT)-OH;H-BETA-(3-BENZOTHIENYL)-D-ALA-OH;H-3-D-ALA(3-BENZOTHIENYL)-OH;BETA-(3-BENZOTHIENYL)-D-ALANINE;AKOS BBS-00003744;3-BENZOTHIENYL-D-ALANINE
• CAS NO: 111139-55-0
• Molecular Formula: C11H11NO2S
• Molecular Weight: 221.28
• EINECS: 207-715-9
• Product Categories: Amino Acids;Phenylalanine analogs and other aromatic alpha amino acids;a-amino
• Mol File: 111139-55-0.mol
• Article Data: 2

Chemical Properties

• Melting Point: 143-145 °C(lit.)
• Boiling Point: 300 °C
• Flash Point: 205.789 °C
• Appearance: /
• Density: 1.374 g/cm³
• Vapor Pressure: 1.09E-07mmHg at 25°C
• Refractive Index: 1.692
• Storage Temp.: Store at RT.
• PKA: 2.23±0.10(Predicted)
• CAS DataBase Reference: 2,4,5-TRIMETHOXYBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,5-TRIMETHOXYBENZOIC ACID(111139-55-0)
• EPA Substance Registry System: 2,4,5-TRIMETHOXYBENZOIC ACID(111139-55-0)

Safety Data

• Hazard Codes: Xi
• Safety Statements: 24/25
• WGK Germany: 3
• Hazardous Substances Data: 111139-55-0(Hazardous Substances Data)

Usage

Uses

D-3-Benzothienylalanine is a useful intermediate used in the preparation of enantiopure L-benzofuranyl- and L-benzothienyl alanines.

InChI:InChI=1/C11H11NO2S/c12-9(11(13)14)6-8-5-7-3-1-2-4-10(7)15-8/h1-5,9H,6,12H2,(H,13,14)/t9-/m1/s1

Upstream product

• 63024-19-1 α-acetamido-β-<1>benzothiophene-3-ylpropionic acid 
• 1956-23-6 (R)-α-amino-3-[1]benzothiophene-3-ylpropionic acid 
• 144125-23-5 (R)-α-acetamido-β-<1>benzothiophene-3-ylpropionic acid 

Downstream Products

• 1312952-34-3 (2R)-3-(benzo[b]thiophen-3-yl)-2-(5-((4-butylphenyl)ethynyl)thiophene-2-sulfonamido)-N-hydroxypropanamide 
• 1312952-42-3 (2R)-3-(benzo[b]thiophen-3-yl)-2-(5-((4-butylphenyl)ethynyl)thiophene-2-sulfonamido)-N-(tetrahydro-2H-pyran-2-yloxy)propanamide 

Relevant articles and documents

(R)-1,2,3,4-Tetrahydrobenzothienopyridines: Novel Optically Active Compounds with Strong 5-HT1A Receptor Binding Ability Exhibiting Anticonflict Activity and Lessening of Memory Impairment

(R)-1,2,3,4-Tetrahydrobenzothienopyridine derivatives (60-114) were synthesized.The (R)-isomers have affinity for the 5-HT1A receptor while the (S)-isomers have no such ability.The affinity of the (R)-isomers was discussed on the basis of structure-activity relationships between the affinity and hydrophobicity of the (R)-isomers.Compounds 71 and 107, which are representative derivative compounds, have anticonflict activity and lessening of memory impairment.In particular, compound 107 cannot bind to receptors other than the 5-HT1A receptor, demonstrating that it is a unique compound with a different mechanism of action from that of conventional anxiolytics.