9-THIASTEARIC ACID

Base Information

• Chemical Name: 9-THIASTEARIC ACID
• CAS No.: 106689-24-1
• Molecular Formula: C₁₇H₃₄O₂S
• Molecular Weight: 302.522
• Hs Code.: 2930909090
• Mol file: 106689-24-1.mol

Synonyms:8-(Nonylthio)octanoicacid;9-Thiastearic acid;

Chemical Property of 9-THIASTEARIC ACID

Chemical Property:

• Boiling Point: 426.012 °C at 760 mmHg
• PKA: 4.77±0.10(Predicted)
• Flash Point: 211.445 °C
• PSA: 62.60000
• Density: 0.952 g/cm³
• LogP: 5.89540
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

8-(NONYLTHIO)-OCTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 9-THIASTEARIC ACID

There total 2 articles about 9-THIASTEARIC ACID 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: 100.0%

Nonane-1-thiol (1455-21-6) + 8-bromooctanoic acid (17696-11-6) → 9-thiaoctadecanoic acid (106689-24-1)

Guidance literature:

With sodium hydroxide; In ethanol; at 40 ℃;

DOI:10.1016/0006-2952(95)02182-5

Reference yield:

1-Bromononane (693-58-3) + 8-mercapto-octanoic acid (74328-61-3) → 9-thiaoctadecanoic acid (106689-24-1)

Guidance literature:

8-mercapto-octanoic acid; With n-butyllithium; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; at 0 ℃; for 0.5h; Inert atmosphere;

1-Bromononane; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; at 20 ℃; for 20h;

DOI:10.1039/b921753c

Reference yield:

9-thiaoctadecanoic acid (106689-24-1) → (+/-)-O1,O2-bis(9-thiastearyl)-O3-(2-nitrobenzyl)glycerol (148693-68-9)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl chloride / 1) benzene, CH₂Cl₂, rt, 15 min, 2) reflux, 2 h

2: 90 percent / pyridine / benzene / 40 h / Ambient temperature

With pyridine; oxalyl dichloride; In benzene;

DOI:10.1021/jo00059a061

upstream raw materials:

Nonane-1-thiol

8-bromooctanoic acid

1-Bromononane

8-mercapto-octanoic acid

Downstream raw materials:

(+/-)-O¹,O²-bis(9-thiastearyl)-O³-(2-nitrobenzyl)glycerol

Refernces

• 1、 Tremblay, Amy E.,Tan, Nigel,Whittle, Ed,Hodgson, Derek J.,Dawson, Brian,Buist, Peter H.,Shanklin, John. "Stereochemistry of 10-sulfoxidation catalyzed by a soluble Δ9 desaturase". supporting information; experimental part. p. 1322 - 1328. Retrieved 2010/06/16.