ACS 67

Base Information

• Chemical Name: ACS 67
• CAS No.: 1088434-86-9
• Molecular Formula: C32H38O5S3
• Molecular Weight: 598.849
• Mol file: 1088434-86-9.mol

Synonyms:ACS 67;ACS 67 Exclusive

Chemical Property of ACS 67

Chemical Property:

• PSA: 175.56000
• LogP: 7.35990
• Solubility.: ≤2mg/ml in ethanol;20mg/ml in DMSO;30mg/ml in dimethyl formamide

Purity/Quality:

98%Min ^*data from raw suppliers

ACS 67 ≥95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ACS 67

There total 3 articles about ACS 67 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: 65.0%

desmethyl anethole trithione (18274-81-2) + latanoprost acid (41639-83-2) → (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoic acid 4-(3H-1,2-dithiole-3-thione-5-yl)phenyl ester (1088434-86-9)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2009.02.007

Reference yield:

anethole trithione (532-11-6) → (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoic acid 4-(3H-1,2-dithiole-3-thione-5-yl)phenyl ester (1088434-86-9)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine hydrochloride / 0.42 h / 215 °C

2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dmap / tetrahydrofuran / 15 h / 0 - 20 °C

With pyridine hydrochloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap; In tetrahydrofuran;

Reference yield:

E-1-(4'-methoxyphenyl)prop-1-ene (4180-23-8,25086-72-0,63589-56-0) → (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoic acid 4-(3H-1,2-dithiole-3-thione-5-yl)phenyl ester (1088434-86-9)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfur / ISOPROPYLAMIDE / 6 h / 145 °C

2: pyridine hydrochloride / 0.42 h / 215 °C

3: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dmap / tetrahydrofuran / 15 h / 0 - 20 °C

With pyridine hydrochloride; sulfur; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap; In tetrahydrofuran; ISOPROPYLAMIDE;

upstream raw materials:

desmethyl anethole trithione

latanoprost acid

anethole trithione

E-1-(4'-methoxyphenyl)prop-1-ene

Refernces

• 1、 -. "PROSTAGLANDIN PHARMACEUTICAL COMPOSITIONS". Page/Page column 4. . Retrieved 2010/07/08.