38824-30-5

Basic information

• Product Name: 2,3,4,5-Tetrahydro-1-benzoxepin-3-ol
• Synonyms: 2,3,4,5-Tetrahydro-1-benzoxepin-3-ol
• CAS NO: 38824-30-5
• Molecular Formula: C10H12O2
• Molecular Weight: 0
• Mol File: 38824-30-5.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2,3,4,5-Tetrahydro-1-benzoxepin-3-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3,4,5-Tetrahydro-1-benzoxepin-3-ol(38824-30-5)
• EPA Substance Registry System: 2,3,4,5-Tetrahydro-1-benzoxepin-3-ol(38824-30-5)

Safety Data

• Hazardous Substances Data: 38824-30-5(Hazardous Substances Data)

Upstream product

• 111286-73-8 2-(carbomethoxyethyl)-phenoxyacetic acid methyl ester 
• 111286-74-9 4-carbomethoxy-3,4-dihydro(2H)-1-benzoxepin-3-one 
• 119-84-6 C₆H₄(CH₂CH₂C(O)O) 
• 35783-10-9 benzo-1-oxepan-3-one 

Downstream Products

• 121688-13-9 2,3,4,5-tetrahydro-3-tosyloxy-1-benzoxepin 

Relevant articles and documents

Conformational analysis of 3-substituted-2,3,4,5-tetrahydro-1-benzoxepin by 1H and 13C nuclear magnetic resonance

2,3,4,5-Tetrahydro-1-benzoxepin (8) and its 3-substituted derivatives (9-13) have been studied by 1H and 13C dynamic nuclear magnetic resonance in a few solvent systems.The results show that, while 8 and its methyl derivative 9 exist solely in chair forms (C for 8 and Ce:Ca (96:4) for 9), the twist-boat (TB) conformation contributes significantly to the conformational equilibra of the derivatives 3-methoxy 10 (Ca:Ce:TB, 70:20:10), 3,3-dimethyl 11 (C:TB, 90:10), 3,3-methylmethoxy 12 (Ca:Ce:TB, 89:4:7), and 3,3-dimethoxy 13 (C:TB, 92:8).The analysis of several factors (steric, electrostatic, and electronic) on the conformational behaviour of these molecules shows why the TB form is a viable conformational alternative to destabilized chair forms in this benzoxepin system.