(4S)-4-benzyl-2-(chloromethyl)-4,5-dihydro-1,3-oxazole

Base Information

• Chemical Name: (4S)-4-benzyl-2-(chloromethyl)-4,5-dihydro-1,3-oxazole
• CAS No.: 221196-90-3
• Molecular Formula: C11H12ClNO
• Molecular Weight: 209.675
• DSSTox Substance ID: DTXSID40571966
• Nikkaji Number: J1.042.957I
• Wikidata: Q82460174
• Mol file: 221196-90-3.mol

Synonyms:221196-90-3;(4S)-4-benzyl-2-(chloromethyl)-4,5-dihydro-1,3-oxazole;DTXSID40571966

Chemical Property of (4S)-4-benzyl-2-(chloromethyl)-4,5-dihydro-1,3-oxazole

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 209.0607417
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N=C(O1)CCl)CC2=CC=CC=C2
• Isomeric SMILES: C1[C@@H](N=C(O1)CCl)CC2=CC=CC=C2

Technology Process of (4S)-4-benzyl-2-(chloromethyl)-4,5-dihydro-1,3-oxazole

There total 1 articles about (4S)-4-benzyl-2-(chloromethyl)-4,5-dihydro-1,3-oxazole 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: 65.0%

2-chloro-1,1,1-triethoxyethane (51076-95-0) + L-Phenylalaninol (3182-95-4) → (4S)-4-benzyl-2-chloromethyl-2-oxazoline (221196-90-3)

Guidance literature:

With trifluoroacetic acid; In 1,2-dichloro-ethane; for 2.5h; Heating;

DOI:10.3987/COM-98-8407

Reference yield: 75.0%

1,5-diazacyclooctane (5687-07-0) + (4S)-4-benzyl-2-chloromethyl-2-oxazoline (221196-90-3) → (S,S)-1,5-bis(4-benzyloxazolin-2-ylmethyl)-1,5-diazacyclooctane

Guidance literature:

With potassium carbonate; In acetonitrile; Heating;

DOI:10.1081/SCC-120014777

Reference yield: 57.0%

(S)-1-[(R)-2-(diphenylphosphino)ferrocenyl]ethylamine + (4S)-4-benzyl-2-chloromethyl-2-oxazoline (221196-90-3) → (SC,SC,RFC)-1-(diphenylphosphino)-2-[1-N-((4S)-4-benzyl-2-oxazolinyl-2-ylmethyl)ethyl]ferrocene

Guidance literature:

With potassium carbonate; In acetonitrile; at 85 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.6b01290

upstream raw materials:

2-chloro-1,1,1-triethoxyethane

L-Phenylalaninol

Downstream raw materials:

(4S,4'S)-2,2'-(1-((S)-4-benzyl-4,5-dihydrooxazol-2-yl)-3-(3,5-di-tert-butylphenyl)propane-2,2-diyl)bis(4-isopropyl-4,5-dihydrooxazole)

(3aS,3a'S,8aR,8a'R)-2,2'-(1-((S)-4-benzyl-4,5-dihydrooxazol-2-yl)propane-2,2-diyl)bis(8,8a-dihydro-3aH-indeno[1,2-d]oxazole)

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