2-Cyclopropylpropan-2-ol

Base Information

• Chemical Name: 2-Cyclopropylpropan-2-ol
• CAS No.: 930-39-2
• Molecular Formula: C6H12 O
• Molecular Weight: 100.161
• Hs Code.: 2906199090
• European Community (EC) Number: 664-870-9
• NSC Number: 179299
• UNII: 7FZL6C3JY8
• DSSTox Substance ID: DTXSID00306675
• Nikkaji Number: J47.459B
• Wikidata: Q63408942
• Mol file: 930-39-2.mol

Synonyms:2-cyclopropylpropan-2-ol;930-39-2;1-Cyclopropyl-1-methylethanol;2-Cyclopropyl-2-propanol;2-Cyclopropyl-propan-2-ol;NSC-179299;NSC179299;Dimethylcyclopropylcarbinol;dimethylcyclopropyl Carbinol;7FZL6C3JY8;1-Methyl-1-cyclopropylethanol;SCHEMBL456619;DTXSID00306675;MFCD00019247;AKOS005138003;Cyclopropanemethanol,.alpha.-dimethyl-;alpha,alpha-Dimethylcyclopropanemethanol;SB40015;AS-40872;Cyclopropanemethanol, alpha,alpha-dimethyl-;CS-0258304;FT-0633120;EN300-69725;J-509267;Q63408942;F8889-5999;Z449374598

Chemical Property of 2-Cyclopropylpropan-2-ol

Chemical Property:

• Vapor Pressure: 4.73mmHg at 25°C
• Boiling Point: 128.8°Cat760mmHg
• PKA: 15.24±0.29(Predicted)
• Flash Point: 40.7°C
• PSA: 20.23000
• Density: 0.996g/cm³
• LogP: 1.16730
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 100.088815002
• Heavy Atom Count: 7
• Complexity: 72.2

Purity/Quality:

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

1-Cyclopropyl-1-methylethanol 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1CC1)O

Technology Process of 2-Cyclopropylpropan-2-ol

There total 6 articles about 2-Cyclopropylpropan-2-ol 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: 43.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2-methyl-3-buten-2-ol (115-18-4) → 3-hydroxy-3-methyl-1-pentene (918-85-4) + 4-methylpent-3-en-1-ol (763-89-3) + 3-methoxy-3-methyl-1-butene (40426-44-6) + 2,2-dimethyl-but-3-en-1-ol (918-83-2) + 2-cyclopropyl-2-propanol (930-39-2)

Guidance literature:

In pentane; Product distribution; Irradiation;

DOI:10.1016/0040-4039(95)00532-H

Reference yield:

2-cyclopropylpropane (3638-35-5) → 3,3-dimethyl acrylaldehyde (107-86-8) + 5-chloro-2-methyl-pent-2-ene (7712-60-9) + 2-cyclopropyl-2-propanol (930-39-2) + (1-chloro-1-methyl-ethyl)-cyclopropane (58673-35-1)

Guidance literature:

With chromyl chloride; at 65 ℃; for 0.5h; Further byproducts given. Title compound not separated from byproducts;

DOI:10.1021/jo962348b

Reference yield:

2-cyclopropylpropane (3638-35-5) → 5-chloro-2-methyl-pent-2-ene (7712-60-9) + 2-chloroisobutyraldehyde (917-93-1) + 2-cyclopropyl-2-propanol (930-39-2) + (1-chloro-1-methyl-ethyl)-cyclopropane (58673-35-1)

Guidance literature:

With chromyl chloride; at 65 ℃; for 0.5h; Further byproducts given. Title compound not separated from byproducts;

DOI:10.1021/jo962348b

upstream raw materials:

diazomethane

2-methyl-3-buten-2-ol

2-cyclopropylpropane

Downstream raw materials:

2,2-dimethyltetrahydrofuran

isopropenylcyclopropane

1-bromo-4-methylpent-3-ene

4-methylpent-3-en-1-yl benzoate

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