1,2-Epoxy-3-methylbutane

Base Information

• Chemical Name: 1,2-Epoxy-3-methylbutane
• CAS No.: 1438-14-8
• Molecular Formula: C5H10 O
• Molecular Weight: 86.1338
• Hs Code.: 2910900090
• European Community (EC) Number: 215-869-3
• DSSTox Substance ID: DTXSID90892512
• Nikkaji Number: J102.029C
• Mol file: 1438-14-8.mol

Synonyms:1,2-Epoxy-3-methylbutane;2-Isopropyloxirane;1438-14-8;Isopropyloxirane;2-propan-2-yloxirane;Oxirane, (1-methylethyl)-;2-(propan-2-yl)oxirane;Butane, 1,2-epoxy-3-methyl-;(2R)-2-(1-Methylethyl)oxirane;(2S)-2-(1-Methylethyl)oxirane;EINECS 215-869-3;(R)-2-Isopropyloxirane;82378-47-0;Oxirane,2-(1-methylethyl)-;1-Methylethyl-oxirane;Isopropylethylene oxide;3-methyl-1-butene oxide;3-Methylbutene-1,2-oxide;DTXSID90892512;MFCD02683501;AKOS009156419;AS-58311;LS-192219;FT-0606437;EN300-126741;A808116;Z1020679856

Chemical Property of 1,2-Epoxy-3-methylbutane

Chemical Property:

• Vapor Pressure: 116mmHg at 25°C
• Refractive Index: 1.3915
• Boiling Point: 75.3 °C at 760 mmHg
• Flash Point: -12ºC
• PSA: 12.53000
• Density: 0.893 g/cm³
• LogP: 1.04120
• Sensitive.: Moisture Sensitive
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 86.073164938
• Heavy Atom Count: 6
• Complexity: 49.9

Purity/Quality:

98%min ^*data from raw suppliers

2-Isopropyloxirane 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R11:Highly flammable.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R11:Highly flammable.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 11-36/37/38
• Safety Statements: 16-23-26-33-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1CO1
• Uses: 1,2-Epoxy-3-methylbutane is used as a pharmaceutical intermediate.

Technology Process of 1,2-Epoxy-3-methylbutane

There total 5 articles about 1,2-Epoxy-3-methylbutane 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: 62.0%

3-Methyl-1-butene (563-45-1) → 2-isopropyloxirane (1438-14-8)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In 1,2-dichloro-benzene; at 0 - 20 ℃; for 19h; Inert atmosphere;

DOI:10.1021/ol302970c

Reference yield:

3-Methyl-1-butene (563-45-1) → 2-isopropyloxirane (1438-14-8) + 3-methylbutane-1,2-diol (50468-22-9)

Guidance literature:

With sodium tungstate; dihydrogen peroxide; benzyltrioctylammonium chloride; at 60 ℃; for 5h; under 2250.2 Torr; Product distribution; hydroperoxide and peroxide epoxidation/hydroxylation; other interphase transfer catalysts, other organic hydroperoxides;

Reference yield:

3-Methyl-1-butene (563-45-1) → 2-isopropyloxirane (1438-14-8) + 2-methyl-3-buten-2-ol (115-18-4) + 2-hydroperoxy-2-methyl-3-butene (15315-30-7)

Guidance literature:

With air; Cumene hydroperoxide; at 100 ℃; for 2h; under 15001.2 Torr; Product distribution; also in the presence of Mo, Co and V-binetallic catalyst system;

upstream raw materials:

3-Methyl-1-butene

i-Amyl alcohol

Downstream raw materials:

(3R^*,5S^*)-2,6-dimethyl-3,5-heptanediol

racem. 2,6-dimethyl-heptane-3,5-diol

1-Diphenylphosphanyl-3-methyl-butan-2-ol

(R)-2-isopropyloxirane

Refernces

• 1、 -. "5- substituted tetralones as inhibitors of ras farnesyl trransferase". . . Retrieved 2008/06/13.
• 2、 Akhmed'Yanova, R. A.,Litvintsev, I. Yu.,Liakumovich, A. G.. "DIRECT LIQUID-PHASE OXIDATION OF 3-METHYLBUT-1-ENE BY ATMOSPHERIC OXYGEN". . p. 357 - 364. Retrieved 2007/10/02.