2-Methylpropane-1,2-diol

Base Information

• Chemical Name: 2-Methylpropane-1,2-diol
• CAS No.: 558-43-0
• Molecular Formula: C4H10 O2
• Molecular Weight: 90.1222
• Hs Code.: 2905599890
• European Community (EC) Number: 209-198-5
• UNII: 4CA35H88JE
• DSSTox Substance ID: DTXSID80204382
• Nikkaji Number: J6.488B
• Wikidata: Q27225275
• Metabolomics Workbench ID: 71555
• Mol file: 558-43-0.mol

Synonyms:2-Methylpropane-1,2-diol;558-43-0;2-Methyl-1,2-propanediol;Isobutene glycol;2-methyl-propane-1,2-diol;1,2-Propanediol, 2-methyl-;isobutylene glycol;1,1-dimethyl-1,2-ethanediol;4CA35H88JE;EINECS 209-198-5;MFCD00971926;isobutene glycol NIST;1,2-dihydroxyisobutane;2-Hydroxy-2-methylpropanol;UNII-4CA35H88JE;1,2-Dihydroxy-2-methylpropane;2-Methyl-2-hydroxy-1-propanol;DTXSID80204382;CHEBI:131845;1,1-DIMETHYLETHYLENE GLYCOL;1,2-Propanol, 1-chloro-2-methyl-;AKOS008140579;CS-W005057;SB83776;SS-4704;SY107922;2-HYDROXY-2-METHYL-1-PROPYL ALCOHOL;FT-0701948;EN300-65111;C21290;A870084;Q27225275;Z600454414

Chemical Property of 2-Methylpropane-1,2-diol

Chemical Property:

• Vapor Pressure: 0.342mmHg at 25°C
• Melting Point: 0.07°C (estimate)
• Refractive Index: 1.4340
• Boiling Point: 176°Cat760mmHg
• PKA: 14.56±0.29(Predicted)
• Flash Point: 73.7°C
• PSA: 40.46000
• Density: 1.005g/cm³
• LogP: -0.25040
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 90.068079557
• Heavy Atom Count: 6
• Complexity: 40.8

Purity/Quality:

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

IsobuteneGlycol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CO)O
• Uses: Isobutene Glycol (cas# 558-43-0) is a compound useful in organic synthesis.

Technology Process of 2-Methylpropane-1,2-diol

There total 54 articles about 2-Methylpropane-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: 99.0%

2-(benzyloxy)-2-methylpropan-1-ol (91968-71-7) → 2-Methyl-1,2-propanediol (558-43-0)

Guidance literature:

With hydrogen; 20% Pd(OH)2/C; In methanol; at 20 ℃; for 1.16667h; under 1551.49 Torr;

Reference yield: 97.0%

4,4-dimethyl-1,3-dioxolan-2-one (4437-69-8) → methanol (67-56-1) + 2-Methyl-1,2-propanediol (558-43-0)

Guidance literature:

With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; hydrogen; In tetrahydrofuran; at 140 ℃; for 12h; Autoclave;

DOI:10.1002/anie.201207781

Reference yield: 91.0%

(2S,3R)-2,3-Dihydroxy-4-methyl-5-phenylpent-4-ene (67470-70-6) → 2-Methyl-1,2-propanediol (558-43-0) + <<2α(R),3β>-1S,2S>-1-(2-methyl-3-phenyloxiranyl)-1,2-propanediol (67505-10-6)

Guidance literature:

With titanium(IV) isopropylate; 2-hydroperoxy-2-methyl-1-propanol; 4 A molecular sieve; at 20 ℃; for 1h; other reagents: 2,3-dimethyl-3-hydroperoxy-2-butanol, 2-hydroperoxy-2-phenyl-1-ethanol, m-chloroperoxybenzoic acid, NaHCO₃, dimethyldioxirane;

DOI:10.1021/jo970110x

upstream raw materials:

2-methyl-1,2-epoxypropane

1,2-dichloro-2-methylpropane

ethanol

2-chloro-2-methyl-1-propanol

Downstream raw materials:

2-methyllactic acid

isobutyraldehyde

1-Methoxy-2-methylpropan-2-ol

1,1-Dimethylaethylenmethylphosphit

Refernces

• 1、 Richardson, William H.,Lovett, Merylyn B.,Olson, Leif. "An Estimate of the Lifetime of 1,4-Dioxybutane Biradicals". . p. 3523 - 3525. Retrieved 1989.
• 2、 Hernández-Ruiz, Raquel,Rubio-Presa, Rubén,Suárez-Pantiga, Samuel,Pedrosa, María R.,Fernández-Rodríguez, Manuel A.,Tapia, M. José,Sanz, Roberto. "Mo–Catalyzed One-Pot Synthesis of N-Polyheterocycles from Nitroarenes and Glycols with Recycling of the Waste Reduction Byproduct. Substituent-Tuned Photophysical Properties". supporting information. p. 13613 - 13623. Retrieved 2021/08/23.
• 3、 Liu, Xin,De Vries, Johannes G.,Werner, Thomas. "Transfer hydrogenation of cyclic carbonates and polycarbonate to methanol and diols by iron pincer catalysts". . p. 5248 - 5255. Retrieved 2019/10/11.