Phenol, 4-(2,3-dihydro-4-phenyl-1,5-benzothiazepin-2-yl)-

Base Information

• Chemical Name: Phenol, 4-(2,3-dihydro-4-phenyl-1,5-benzothiazepin-2-yl)-
• CAS No.: 74629-69-9
• Molecular Formula: C21H17NOS
• Molecular Weight: 331.43100
• DSSTox Substance ID: DTXSID70455205
• Nikkaji Number: J1.191.147A
• Mol file: 74629-69-9.mol

Synonyms:74629-69-9;Phenol, 4-(2,3-dihydro-4-phenyl-1,5-benzothiazepin-2-yl)-;DTXSID70455205;2,3-Dihydro-2-(4-hydroxyphenyl)-4-phenyl-1,5-benzothiazepine

Chemical Property of Phenol, 4-(2,3-dihydro-4-phenyl-1,5-benzothiazepin-2-yl)-

Chemical Property:

• PSA: 57.89000
• LogP: 5.18570
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 331.10308534
• Heavy Atom Count: 24
• Complexity: 437

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=C(C=C4)O

Technology Process of Phenol, 4-(2,3-dihydro-4-phenyl-1,5-benzothiazepin-2-yl)-

There total 5 articles about Phenol, 4-(2,3-dihydro-4-phenyl-1,5-benzothiazepin-2-yl)- 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: 88.0%

4-hydroxychalcone (38239-55-3,20426-12-4) + 2-amino-benzenethiol (137-07-5) → 2-(4-hydroxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine (74629-69-9)

Guidance literature:

In glycerol; at 70 ℃; Green chemistry;

DOI:10.1039/c8nj05611k

Reference yield: 85.0%

(E)-3-(4-hydroxyphenyl)-1-phenyl-2-propen-1-one (20426-12-4,38239-55-3) + 2-amino-benzenethiol (137-07-5) → 2-(4-hydroxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine (74629-69-9)

Guidance literature:

In toluene; Heating;

Reference yield: 75.5%

β-(4-hydroxyphenyl)-β-(2-aminophenylmercapto)-propiophenone → 2-(4-hydroxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine (74629-69-9)

Guidance literature:

In ethanol; acetic acid; for 1h; Heating;

upstream raw materials:

(E)-3-(4-hydroxyphenyl)-1-phenyl-2-propen-1-one

2-amino-benzenethiol

4-hydroxychalcone

Downstream raw materials:

N-Phenyl-2-[4-(4-phenyl-2,3-dihydro-benzo[b][1,4]thiazepin-2-yl)-phenoxy]-acetamide

Phenyl-carbamic acid 4-(4-phenyl-2,3-dihydro-benzo[b][1,4]thiazepin-2-yl)-phenyl ester

[4-(4-Phenyl-2,3-dihydro-benzo[b][1,4]thiazepin-2-yl)-phenoxy]-acetonitrile

[4-(4-Phenyl-2,3-dihydro-benzo[b][1,4]thiazepin-2-yl)-phenoxy]-acetic acid ethyl ester