Isoxazole, 5-(chloromethyl)-3-(1-methylethyl)- (9CI)

Base Information

• Chemical Name: Isoxazole, 5-(chloromethyl)-3-(1-methylethyl)- (9CI)
• CAS No.: 64988-71-2
• Molecular Formula: C₇H₁₀ClNO
• Molecular Weight: 159.615
• Hs Code.: 2934999090
• European Community (EC) Number: 851-968-3
• DSSTox Substance ID: DTXSID60494365

Synonyms:5-(Chloromethyl)-3-isopropylisoxazole

Chemical Property of Isoxazole, 5-(chloromethyl)-3-(1-methylethyl)- (9CI)

Chemical Property:

• Vapor Pressure: 0.1mmHg at 25°C
• Refractive Index: 1.478
• Boiling Point: 230.3°C at 760 mmHg
• Flash Point: 93.1°C
• PSA: 26.03000
• Density: 1.114g/cm³
• LogP: 2.53680
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 159.0450916
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

98%Min ^*data from raw suppliers

5-(chloromethyl)-3-isopropylisoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=NOC(=C1)CCl

Technology Process of Isoxazole, 5-(chloromethyl)-3-(1-methylethyl)- (9CI)

There total 6 articles about Isoxazole, 5-(chloromethyl)-3-(1-methylethyl)- (9CI) 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: 80.0%

(E)-6-Chloro-5-isothiocyanato-2-methyl-hex-4-en-3-one → 5-(chloromethyl)-3-isopropylisoxazole (64988-71-2)

Guidance literature:

With potassium hydroxide; hydroxylamine hydrochloride; In methanol; water; at 55 - 60 ℃; for 5h;

DOI:10.1023/A:1016398512557

Reference yield: 43.0%

(3-isopropylisooxazol-5-yl)methanol (14633-17-1) → 5-(chloromethyl)-3-isopropylisoxazole (64988-71-2)

Guidance literature:

With methanesulfonyl chloride; triethylamine; In dichloromethane; at 0 - 25 ℃; for 2h;

Reference yield:

isobutyraldehyde oxime (151-00-8) + 2-propynyl chloride (624-65-7) → 5-(chloromethyl)-3-isopropylisoxazole (64988-71-2)

Guidance literature:

With sodium hypochlorite; triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/jm020471r

upstream raw materials:

5,6-dichloro-2-methyl-hex-4-en-3-one

isobutyraldehyde oxime

2-propynyl chloride

(3-isopropylisoxazol-5-yl)formaldehyde

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 64988-71-2 Isoxazole, 5-(chloromethyl)-3-(1-methylethyl)- (9CI)

Send

Send

Metric Ton KG G Pound L ML

Send

Send