1-Methylcyclopropanol

Base Information

• Chemical Name: 1-Methylcyclopropanol
• CAS No.: 29526-99-6
• Molecular Formula: C4H8O
• Molecular Weight: 72.1069
• Hs Code.: 2906199090
• European Community (EC) Number: 687-436-0
• DSSTox Substance ID: DTXSID50468631
• Nikkaji Number: J371.296F
• Wikidata: Q72489782
• Mol file: 29526-99-6.mol

Synonyms:1-Methylcyclopropanol;1-methylcyclopropan-1-ol;29526-99-6;Cyclopropanol, 1-methyl-;MFCD12962574;1-Methyl-cyclopropanol;DTXSID50468631;NCTCZGRRDXIGIY-UHFFFAOYSA-N;AMY38664;BCP22972;AKOS011964299;SB15900;PS-16933;SY022540;SY345435;FT-0736058;EN300-107716;A850057

Chemical Property of 1-Methylcyclopropanol

Chemical Property:

• Refractive Index: n20/D1.414
• Boiling Point: 83.9±8.0℃ (760 Torr)
• PKA: 15.38±0.20(Predicted)
• Flash Point: 18.6±10.9℃
• PSA: 20.23000
• Density: 1.050±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 0.53120
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 72.057514874
• Heavy Atom Count: 5
• Complexity: 45.6

Purity/Quality:

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

1-methylcyclopropanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn
• Statements: 11-22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC1)O

Technology Process of 1-Methylcyclopropanol

There total 2 articles about 1-Methylcyclopropanol 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: 69.0%

exo-2-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-1-yl)propan-2-ol (434933-60-5) → 2-methyl-1,2-epoxypropane (558-30-5) + phenanthrene (85-01-8) + 1-methylcyclopropanol (29526-99-6) + butanone (78-93-3)

Guidance literature:

With Methylenedioxybenzene; In benzene-d6; at 20 ℃; Product distribution; Photolysis;

DOI:10.1021/jo0160827

Reference yield:

2-chloromethyl-2-methyloxiran (598-09-4) → 1-methylcyclopropanol (29526-99-6) + 3-hydroxy-2-methyl-1-propene (513-42-8)

Guidance literature:

With magnesium; In tetrahydrofuran; Title compound not separated from byproducts; Heating;

DOI:10.1080/00397919608004600

Reference yield: 93.0%

2,6-di-tert-butyl-4-benzylidene-cyclohexa-2,5-dienone (7078-98-0) + 1-methylcyclopropanol (29526-99-6) → 5-(3,5-di-tert-butyl-4-hydroxyphenyl)-5-phenylpentan-2-one

Guidance literature:

With iron(III) acetylacetonate; In acetonitrile; at 80 ℃; Inert atmosphere; Sealed tube;

DOI:10.1039/d1cc05997a

upstream raw materials:

2-chloromethyl-2-methyloxiran

exo-2-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-1-yl)propan-2-ol

Downstream raw materials:

3-oxobutyraldehyde

4-thiocyanato-2-butanone

4-{[6-(4-fluoro-phenyl)-4-(1-methyl-cyclopropoxy)-pyrido[3,2-d]pyrimidin-2-ylamino]-methyl}-benzenesulfonamide

1-methylcyclopropyl (4-nitrophenyl)carbonate

Refernces

• 1、 Tanyeli,Demir,Akhmedov,Ozgul,Kandemir. "Reactions of 2-substituted epichlorohydrins". . p. 2967 - 2980. Retrieved 2007/10/03.