(4R)-2-Methylpentane-2,4-diol

Base Information

• Chemical Name: (4R)-2-Methylpentane-2,4-diol
• CAS No.: 99210-90-9
• Molecular Formula: C6H14O2
• Molecular Weight: 118.17
• Hs Code.: 2905399090
• European Community (EC) Number: 625-062-1
• NSC Number: 760381
• Nikkaji Number: J149.462G
• Mol file: 99210-90-9.mol

Synonyms:99210-90-9;(R)-(-)-2-Methyl-2,4-pentanediol;(4R)-2-METHYLPENTANE-2,4-DIOL;(R)-(-)-2-Methyl-2,4-pentandiol;(R)-2-methyl-2,4-pentanediol;(R)-2-methylpentane-2,4-diol;MFCD00064275;64229-01-2;MRD;2-Methylpentan-2,4-diol;hexylene-glycol;1hty;2,4-Pentanediol, 2-methyl-, (4R)-;R-MPD;(R)-(-)-Hexylene glycol;4-Methyl-2,4-pentanediole;SCHEMBL123432;SVTBMSDMJJWYQN-RXMQYKEDSA-N;Pharmakon1600-01506161;NSC760381;AKOS005255882;NSC-760381;(.+/-.)-2-Methyl-2,4-pentanediol;PD132618;CS-0325557;(R)-(-)-2-Methyl-2,4-pentanediol, 99%;EN300-7193752;.alpha.,.alpha.,.alpha.'-Trimethyltrimethylene glycol;Q63390520

Chemical Property of (4R)-2-Methylpentane-2,4-diol

Chemical Property:

• Melting Point: 26.38°C (estimate)
• Refractive Index: n20/D 1.427(lit.)
• Boiling Point: 197 °C(lit.)
• Flash Point: 215 °F
• PSA: 40.46000
• Density: 0.92 g/mL at 20 °C(lit.)
• LogP: 0.52820
• Sensitive.: Hygroscopic
• Water Solubility.: Fully miscible with water.
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 118.099379685
• Heavy Atom Count: 8
• Complexity: 68.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

(R)-(-)-2-Methyl-2,4-pentanediol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(C)(C)O)O
• Isomeric SMILES: C[C@H](CC(C)(C)O)O
• Uses: (R)-(-)-2-Methyl-2,4-pentanediol is used as a chiral reagent. Also used as intermediate for pharmaceutical.

Technology Process of (4R)-2-Methylpentane-2,4-diol

There total 3 articles about (4R)-2-Methylpentane-2,4-diol 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:

Butyric acid (R)-3-hydroxy-1,3-dimethyl-butyl ester (99113-84-5) → Hexylene glycol (99210-90-9)

Guidance literature:

With potassium hydroxide; In ethanol; at 25 ℃; for 2h;

DOI:10.1021/ja00310a052

Reference yield:

2-methyl-2,4-pentanediol (107-41-5) → Hexylene glycol (99210-90-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 61 percent Turnov_. / porcine pancreatic lipase / heptane / 95 h / 60 °C

2: 1M KOH / ethanol / 2 h / 25 °C

With potassium hydroxide; porcine pancreatic lipase; In ethanol; n-heptane;

DOI:10.1021/ja00310a052

Reference yield:

2-methyl-2,4-pentanediol (107-41-5) → (S)-2-methyl-2,4-pentanediol (99210-91-0) + Hexylene glycol (99210-90-9)

Guidance literature:

With Ni2(L-asp)2(4,4′-bipyridine); at 200 ℃; for 240h; under 750.075 Torr; Temperature; Pressure; enantioselective reaction; Resolution of racemate; Sonication;

DOI:10.1039/c3cc42376j

upstream raw materials:

Butyric acid (R)-3-hydroxy-1,3-dimethyl-butyl ester

2-methyl-2,4-pentanediol

Refernces

• 1、 Slater, Benjamin,Wong, So-On,Duckworth, Andrew,White, Andrew J. P.,Hill, Matthew R.,Ladewig, Bradley P.. "Upcycling a plastic cup: One-pot synthesis of lactate containing metal organic frameworks from polylactic acid". supporting information. p. 7319 - 7322. Retrieved 2019/06/27.