3,6-Dihydro-2H-1,2-oxazine hydrochloride

Base Information

• Chemical Name: 3,6-Dihydro-2H-1,2-oxazine hydrochloride
• CAS No.: 872-41-3
• Molecular Formula: C4H7 N O . Cl H
• Molecular Weight: 121.567
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80503266
• NSC Number: 295280
• Mol file: 872-41-3.mol

Synonyms:3,6-Dihydro-2H-1,2-oxazine hydrochloride;872-41-3;3,6-dihydro-2H-oxazine;hydrochloride;4-oxazine hydrochloride;SCHEMBL21708471;DTXSID80503266;MFCD20441431;NSC295280;AKOS030242964;NSC-295280;BS-40427;3,6-Dihydro-2H-1,2-oxazinehydrochloride;CS-0330756;EN300-1604836;3,6-Dihydro-2H-1,2-oxazine--hydrogen chloride (1/1);Z1486018651

Chemical Property of 3,6-Dihydro-2H-1,2-oxazine hydrochloride

Chemical Property:

• Vapor Pressure: 57.7mmHg at 25°C
• Melting Point: 149-150 °C
• Boiling Point: 89.8°Cat760mmHg
• Flash Point: 16.6°C
• PSA: 21.26000
• Density: 0.98g/cm³
• LogP: 1.20820
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 121.0294416
• Heavy Atom Count: 7
• Complexity: 60.6

Purity/Quality:

99%, ^*data from raw suppliers

3,6-Dihydro-2H-1,2-oxazine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CCON1.Cl

Technology Process of 3,6-Dihydro-2H-1,2-oxazine hydrochloride

There total 1 articles about 3,6-Dihydro-2H-1,2-oxazine hydrochloride 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: 72.0%

tert-butyl 3,6-dihydrooxazine-2-carboxylate (147462-15-5) → 3,6-dihydro-2H-1,2-oxazine hydrochloride (872-41-3)

Guidance literature:

With hydrogenchloride; In methanol; water; at 0 - 20 ℃; for 24h;

DOI:10.1055/a-1683-0484

Reference yield: 93.0%

3,6-dihydro-2H-1,2-oxazine hydrochloride (872-41-3) + benzoyl chloride (98-88-4) → (3,6-dihydro-2H-1,2-oxazin-2-yl)(phenyl)methanone (51029-26-6)

Guidance literature:

With triethylamine; In diethyl ether; at 0 - 20 ℃; for 0.75h; Inert atmosphere;

DOI:10.1055/a-1683-0484

Reference yield: 21.0%

(+/-)-tert-butyl 5-{[(6-bromo-2-chloro-3-methylquinolin-4-yl)carbonyl]amino}-4-(2-chlorophenyl)pentanoate + 3,6-dihydro-2H-1,2-oxazine hydrochloride (872-41-3) → (+/-)-tert-butyl 5-({[6-bromo-2-(3,6-dihydro-2H-1,2-oxazin-2-yl)-3-methylquinolin-4-yl]carbonyl}amino)-4-(2-chlorophenyl)pentanoate

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; at 120 ℃; for 44h;

upstream raw materials:

tert-butyl 3,6-dihydrooxazine-2-carboxylate

Downstream raw materials:

2-nitroso-3,6-dihydro-2H-[1,2]oxazine

(3,6-dihydro-2H-1,2-oxazin-2-yl)(phenyl)methanone

Refernces