2-Benzyl-4,4-dimethyl-2-oxazoline

Base Information

• Chemical Name: 2-Benzyl-4,4-dimethyl-2-oxazoline
• CAS No.: 1569-08-0
• Molecular Formula: C12H15 N O
• Molecular Weight: 189.257
• Hs Code.: 2934999090
• NSC Number: 160542
• UNII: W7J28W8W2Y
• DSSTox Substance ID: DTXSID00166155
• Nikkaji Number: J901.675I
• Wikidata: Q83035393
• ChEMBL ID: CHEMBL2138529
• Mol file: 1569-08-0.mol

Synonyms:1569-08-0;2-Benzyl-4,4-dimethyl-4,5-dihydrooxazole;2-Benzyl-4,4-dimethyl-2-oxazoline;2-Benzyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole;2-benzyl-4,4-dimethyl-5H-1,3-oxazole;Oxazole, 4,5-dihydro-4,4-dimethyl-2-(phenylmethyl)-;NSC160542;NSC 160542;MLS003106529;W7J28W8W2Y;P-1890;4,4-Dimethyl-2-(phenylmethyl)-4,5-dihydrooxazole;NSC-160542;4,4-Dimethyl-2-phenylmethyl-2-oxazoline;UNII-W7J28W8W2Y;CHEMBL2138529;SCHEMBL11197386;DTXSID00166155;BAA56908;2-benzyl-4,4-dimethyl-5H-oxazole;DIETHYL4-METHOXYPHENYLMALONATE;MFCD00102140;AKOS015934979;AS-68934;SMR001821428;2-Benzyl-4,4-dimethyl-2-oxazoline, 95%;LS-100151;CS-0337053;2-OXAZOLINE, 2-BENZYL-4,4-DIMETHYL-;4,5-DIHYDRO-4,4-DIMETHYL-2-(PHENYLMETHYL)OXAZOLE;2-Benzyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole, AldrichCPR

Chemical Property of 2-Benzyl-4,4-dimethyl-2-oxazoline

Chemical Property:

• Vapor Pressure: 0.0115mmHg at 25°C
• Boiling Point: 270.2°Cat760mmHg
• Flash Point: 89.3°C
• PSA: 21.59000
• Density: 1.03g/cm³
• LogP: 1.87200
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 189.115364102
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

97% ^*data from raw suppliers

2-Benzyl-4,4-dimethyl-4,5-dihydrooxazole 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(COC(=N1)CC2=CC=CC=C2)C

Technology Process of 2-Benzyl-4,4-dimethyl-2-oxazoline

There total 10 articles about 2-Benzyl-4,4-dimethyl-2-oxazoline 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: 85.0%

phenylacetonitrile (140-29-4) + 2-Amino-2-methyl-1-propanol (124-68-5) → 2-benzyl-4,4-dimethyl-2-oxazoline (1569-08-0)

Guidance literature:

With zinc trifluoromethanesulfonate; In toluene; for 96h; Schlenk technique; Inert atmosphere; Reflux;

DOI:10.1021/acs.orglett.6b03407

Reference yield: 75.0%

phenylacetic acid (103-82-2) + 2-Amino-2-methyl-1-propanol (124-68-5) → 2-benzyl-4,4-dimethyl-2-oxazoline (1569-08-0)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; for 48h; Reflux;

DOI:10.1002/rcm.6182

Reference yield: 58.0%

benzyl chloride (100-44-7) + 4,4-dimethyl-2-(tri-n-butylstannyl)-2-oxazoline (118559-32-3) → 2-benzyl-4,4-dimethyl-2-oxazoline (1569-08-0)

Guidance literature:

bis-triphenylphosphine-palladium(II) chloride;

DOI:10.1246/cl.1988.1351

upstream raw materials:

phenyl-acetic acid-(2-chloro-1,1-dimethyl-ethylamide)

phenylacetic acid

2-Amino-2-methyl-1-propanol

2-(methylthio)-4,4-dimethyl-4,5-dihydro-1,3-oxazole

Downstream raw materials:

(4,4-dimethyl-2-oxazolin-2-yl)phenylketone

2-(1-phenyl-1-propyl)-4,4-dimethyl-2-oxazoline

2-(α-nitrobenzyl)-4,4-dimethyl-2-oxazoline

2-Benzhydryl-4,4-dimethyl-4,5-dihydro-oxazole