2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione

Base Information

• Chemical Name: 2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione
• CAS No.: 5185-14-8
• Molecular Formula: C₁₄H₁₃NOS
• Molecular Weight: 243.329
• European Community (EC) Number: 684-276-3
• Pharos Ligand ID: DK13N55L4V79
• ChEMBL ID: CHEMBL1519110

Synonyms:2-phenyl-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thione;2-Phenyl-5,6,7,8-tetrahydro-benzo[e][1,3]oxazine-4-thione;2-PHENYL-5,6,7,8-TETRAHYDRO-BENZO(E)(1,3)OXAZINE-4-THIONE;MLS000527620;ChemDiv3_000143;CHEMBL1519110;ADESGXWSHWCJOO-UHFFFAOYSA-N;HMS1473G11;HMS2348F10;AKOS000620600;CCG-103107;IDI1_019461;NCGC00178227-01;SMR000118094;EU-0033375;SR-01000389035;SR-01000389035-1;Z55175690;F0164-0019;4H-1,3-Benzoxazine-4-thione, 5,6,7,8-tetrahydro-2-phenyl-;2-phenyl-5,6,7,8-tetrahydro-4H-benzo[e][1,3]oxazine-4-thione

Chemical Property of 2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 243.07178521
• Heavy Atom Count: 17
• Complexity: 391

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC2=C(C1)C(=S)N=C(O2)C3=CC=CC=C3

Technology Process of 2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione

There total 2 articles about 2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione 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: 55.0%

4-cyclohexen-1-ylmorpholine (670-80-4) + Benzoyl isothiocyanate (532-55-8) → N-(morpholinothiocarbonyl)benzamide (40398-30-9) + cyclohexenopyrimidine-2,4-dithiol (16357-99-6) + 5,6,7,8-tetrahydro-2-phenyl-4H-1,3-benzoxazine-4-thione (5185-14-8)

Guidance literature:

In chloroform; 1.) 30 min, reflux, 2.) 1 day, room temperature;

Reference yield:

1-(cyclohex-1-en-1-yl)piperidine (2981-10-4) + 4-(Dimethylamino)-4-phenyl-1-thia-3-azoniabutatriene Tetrachloroaluminate (113054-32-3) → 5,6,7,8-tetrahydro-2-phenyl-4H-1,3-benzoxazine-4-thione (5185-14-8)

Guidance literature:

Yield given. Multistep reaction;

Reference yield:

4-(2-AMINOETHYL)MORPHOLINE (2038-03-1) + 5,6,7,8-tetrahydro-2-phenyl-4H-1,3-benzoxazine-4-thione (5185-14-8) → 1-(2-morpholin-4-yl-ethyl)-2-phenyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (100172-63-2)

Guidance literature:

DOI:10.1021/jo01033a019

upstream raw materials:

1-(cyclohex-1-en-1-yl)piperidine

4-(Dimethylamino)-4-phenyl-1-thia-3-azoniabutatriene Tetrachloroaluminate

4-cyclohexen-1-ylmorpholine

Benzoyl isothiocyanate

Downstream raw materials:

1-(2-morpholin-4-yl-ethyl)-2-phenyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione

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