3-METHYL-2,4-HEPTANEDIOL

Base Information

• Chemical Name: 3-METHYL-2,4-HEPTANEDIOL
• CAS No.: 6964-04-1
• Molecular Formula: C8H18O2
• Molecular Weight: 146.23
• Hs Code.: 2905399090
• Mol file: 6964-04-1.mol

Synonyms:3-METHYL-2,4-HEPTANEDIOL;3-Methyl-heptan-diol-2,4;2,4-Heptanediol, 3-methyl-;3-Methyl-heptan-2,4-diol;3-methyl-heptane-2,4-diol;3-methyl-1-heptane-2,4-diol;

Chemical Property of 3-METHYL-2,4-HEPTANEDIOL

Chemical Property:

• Vapor Pressure: 0.0106mmHg at 25°C
• Melting Point: 43.76°C (estimate)
• Refractive Index: 1.4459
• Boiling Point: 233.1°Cat760mmHg
• PKA: 14.92±0.20(Predicted)
• Flash Point: 102.6°C
• PSA: 40.46000
• Density: 0.932g/cm³
• LogP: 1.16430

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 3-METHYL-2,4-HEPTANEDIOL

There total 12 articles about 3-METHYL-2,4-HEPTANEDIOL 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%

(4R,5S,6R)-6-Benzyloxy-5-methyl-hept-1-en-4-ol → 3-methyl-1-heptane-2,4-diol (6964-04-1)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1021/jo010823m

Reference yield: 17.0%

1-oxa-3,4-dimethyl-5-propyl-2,2-di(tert-butyl)silacyclopentane → 3-methyl-1-heptane-2,4-diol (6964-04-1)

Guidance literature:

With tert.-butylhydroperoxide; tetrabutyl ammonium fluoride; potassium hydride; In 1-methyl-pyrrolidin-2-one; hexane; at 80 - 130 ℃;

DOI:10.1021/jo010823m

Reference yield:

Acetic acid (3R,4S,5R)-2,2-di-tert-butyl-3,4-dimethyl-[1,2]oxasilolan-5-yl ester → 3-methyl-1-heptane-2,4-diol (6964-04-1)

Guidance literature:

Multi-step reaction with 4 steps

1.1: 93 percent / SnBr₄ / CH₂Cl₂ / 0.5 h / -78 °C

2.1: O₃ / methanol; hexane / -78 °C

2.2: dimethyl sulfide / hexane; methanol / -78 - 0 °C

2.3: 0.101 g / pyridinium p-toluenesulfonate / acetone / 24 h

3.1: p-toluenesulfonyl hydrazine / hexane; methanol / 3 h / Heating

3.2: 52 percent / sodium borohydride / hexane; methanol / 8 h / Heating

4.1: 17 percent / KH; tert-butylhydroperoxide; n-Bu₄NF / 1-methyl-pyrrolidin-2-one; hexane / 80 - 130 °C

With tert.-butylhydroperoxide; tetrabutyl ammonium fluoride; stannic bromide; potassium hydride; ozone; toluene-4-sulfonic acid hydrazide; In 1-methyl-pyrrolidin-2-one; methanol; hexane; dichloromethane;

DOI:10.1021/jo010823m

upstream raw materials:

3-hydroxy-2-methylbutanal

n-propylmagnesium bromide

4-hydroxy-3-methyl-2-heptanone

Downstream raw materials:

3-methyl-4-heptanone

Refernces

• 1、 Timoteus, Kh. R.,Pekhk, T. I.,Myaeorg, U. Yu.,Karro, M. K.,Eiber, V. A.. "REGIOSELECTIVITY OF ALDOL CONDENSATION AND THE STEREOCHEMISTRY OF THE PRODUCTS FROM THE REDUCTION OF β-HYDROXY KETONES". . p. 2073 - 2078. Retrieved 2007/10/02.