3-Methylpentane-1,3,5-triol

Base Information

• Chemical Name: 3-Methylpentane-1,3,5-triol
• CAS No.: 7564-64-9
• Molecular Formula: C6H14 O3
• Molecular Weight: 134.175
• European Community (EC) Number: 231-466-5
• NSC Number: 361412
• UNII: BF3BXN9H5J
• DSSTox Substance ID: DTXSID1064742
• Nikkaji Number: J34.906B
• Wikidata: Q63391616
• Mol file: 7564-64-9.mol

Synonyms:3-Methylpentane-1,3,5-triol;7564-64-9;3-METHYL-1,3,5-PENTANETRIOL;1,3,5-Pentanetriol, 3-methyl-;PENTANETRIOL, METHYL;Pentanetriol, methyl-;BF3BXN9H5J;EINECS 231-466-5;NSC 361412;NSC-361412;UNII-BF3BXN9H5J;SCHEMBL184709;DTXSID1064742;1,3,5-Trihydroxy-3-methylpentane;MFCD00059880;NSC361412;AKOS015916566;FT-0692239;T0894;3-Methyl-1,3,5-pentanetriol, technical grade, 80%;Q63391616

Chemical Property of 3-Methylpentane-1,3,5-triol

Chemical Property:

• Vapor Pressure: 3.89E-05mmHg at 25°C
• Refractive Index: n20/D 1.475(lit.)
• Boiling Point: 216 °C0.5 mm Hg(lit.)
• PKA: 14.43±0.29(Predicted)
• Flash Point: 113 °C
• PSA: 60.69000
• Density: 1.112 g/mL at 25 °C(lit.)
• LogP: -0.49780
• Storage Temp.: Room Temperature
• Solubility.: Chloroform (Heated), DMSO (Soluble), Methanol (Slightly)
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 134.094294304
• Heavy Atom Count: 9
• Complexity: 66.7

Purity/Quality:

99%, ^*data from raw suppliers

3-Methyl-1,3,5-pentanetriol(TechnicalGrade) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CCO)(CCO)O
• Uses: 3-Methyl-1,3,5-pentanetriol is used in the synthesis of Mevalonolactone (M339040), in the synthesis of vitamins and isoprenoids such as steroids.

Technology Process of 3-Methylpentane-1,3,5-triol

There total 14 articles about 3-Methylpentane-1,3,5-triol 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: 90.0%

3-Methyl-1,5-bis-(tetrahydro-pyran-2-yloxy)-pentan-3-ol → 3-methyl-1,3,5-pentanetriol (7564-64-9)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; for 4h; Heating;

Reference yield: 88.0%

dimethyl 3-hydroxy-3-methylglutarate (56652-39-2) → 3-methyl-1,3,5-pentanetriol (7564-64-9)

Guidance literature:

With boron trifluoride-tetrahydrofuran complex; for 18h; Heating;

DOI:10.1016/S0040-4020(01)90506-X

Reference yield: 45.0%

meglutol (503-49-1) → 3-methyl-1,3,5-pentanetriol (7564-64-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 16h;

DOI:10.1021/jacs.5b01036

upstream raw materials:

mevalonolactone

1,1-diallylethanol

dimethyl 3-hydroxy-3-methylglutarate

4-(β-hydroxyethyl)-4-methyl-1,3-dioxane

Downstream raw materials:

mevalonolactone

1,3-O,O-benzylidene-3-methylpentane-1,3,5-triol

1,3-O,O-isopropylidene-5-O-(t-butyldiphenylsilyl)-3-methylpentane-1,3,5-triol

1,3-O,O-benzylidene-5-O-(t-butyldiphenylsilyl)-3-methylpentane-1,3,5-triol

Refernces

• 1、 -. "POLYMERS PREPARED FROM MEVALONOLACTONE AND DERIVATIVES". . . Retrieved 2016/06/06.
• 2、 Fedortsova, E. V.,Idlis, G. S.,Shvarts, E. M.,Kamars, A. E.,Zinenkov, A. V.. "REACTION OF BORIC ACID WITH 3-METHYLPENTANE-1,3,5-TRIOL". . p. 129 - 131. Retrieved 2007/10/02.