(2R)-3,3-dimethylbutane-1,2-diol

Base Information

• Chemical Name: (2R)-3,3-dimethylbutane-1,2-diol
• CAS No.: 31612-63-2
• Molecular Formula: C6H14O2
• Molecular Weight: 118.176
• European Community (EC) Number: 825-273-0
• Nikkaji Number: J63.451D
• Wikidata: Q76393635
• Mol file: 31612-63-2.mol

Synonyms:(2R)-3,3-dimethylbutane-1,2-diol;31612-63-2;(R)-3,3-Dimethylbutane-1,2-diol;SCHEMBL6477693;(r)-3,3-dimethyl-1,2-butanediol;EN300-2009718

Chemical Property of (2R)-3,3-dimethylbutane-1,2-diol

Chemical Property:

• PSA: 40.46000
• LogP: 0.38570
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 118.099379685
• Heavy Atom Count: 8
• Complexity: 63.4

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(CO)O
• Isomeric SMILES: CC(C)(C)[C@H](CO)O

Technology Process of (2R)-3,3-dimethylbutane-1,2-diol

There total 38 articles about (2R)-3,3-dimethylbutane-1,2-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: 87.0%

(S)-2-hydroxy-3,3-dimethylbutanoic acid (21641-92-9,851866-86-9) → (2S)-3,3-dimethylbutane-1,2-diol (31612-63-2,59562-82-2,91049-44-4,92621-91-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 23 ℃; for 2h;

Reference yield: 51.0%

(4S,1'R,2'S)-N(3)-(1'-m-chlorobenzoyl-2'-hydroxy-3',3'-dimethyl-but-1'-yl)-4-phenyl-5,5-dimethyloxazolidin-2-one (636580-99-9) → (2S)-3,3-dimethylbutane-1,2-diol (31612-63-2,59562-82-2,91049-44-4,92621-91-5) + (4S)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (168297-84-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 1h;

DOI:10.1016/j.tet.2008.07.012

Reference yield: 42.0%

1,2-epoxy-3,3-dimethylbutane (2245-30-9,40102-55-4,41796-67-2,62137-90-0) → (R)-tert-butyloxirane (2245-30-9,40102-55-4,62137-90-0,41796-67-2) + (2S)-3,3-dimethylbutane-1,2-diol (31612-63-2,59562-82-2,91049-44-4,92621-91-5)

Guidance literature:

With water; macrocyclic Co(salen) derivative; at 20 ℃; for 48h;

DOI:10.1021/ja0641406

upstream raw materials:

1-hydroxy-3,3-dimethylbutan-2-one

1,2-epoxy-3,3-dimethylbutane

tert-butylethylene

2-(1S-hydroxy-2,2-dimethylpropyl)-1,3-oxathiane

Downstream raw materials:

2-cyclopropyl-N-[(3R)-3-hydroxy-4,4-dimethyl-pentyl]-6-methyl-4-morpholin-4-yl-benzamide

(3R)-1-amino-4,4-dimethyl-pentan-3-ol

(S)-(+)-3,3-dimethyl-2-(tetrahydropyranyloxy)butyl p-toluenesulfonate

(S)-1-[Benzyl-(2-hydroxy-ethyl)-amino]-3,3-dimethyl-butan-2-ol