4,4,6-Trimethyl-1,3-oxazinane-2-thione

Base Information

• Chemical Name: 4,4,6-Trimethyl-1,3-oxazinane-2-thione
• CAS No.: 17374-19-5
• Molecular Formula: C₇H₁₃NOS
• Molecular Weight: 159.252
• Hs Code.: 2934999090
• NSC Number: 137059,40809
• DSSTox Substance ID: DTXSID10389237
• Nikkaji Number: J610.193C
• ChEMBL ID: CHEMBL1418576
• Mol file: 17374-19-5.mol

Synonyms:17374-19-5;4,4,6-Trimethyl-1,3-oxazinane-2-thione;MLS000738269;4,4,6-Trimethyltetrahydro-1,3-oxazine-2-thione;NSC 40809;NSC 137059;NSC40809;MLS000689211;2H-1,3-Oxazine-2-thione, tetrahydro-4,4,6-trimethyl-;CHEMBL1418576;DTXSID10389237;JYHGFCBHXIDYOU-UHFFFAOYSA-N;HMS1677L12;HMS2711L20;HMS2884C23;NSC-40809;NSC137059;STL150535;AKOS000538595;AKOS005750814;NSC-137059;SMR000283227;SMR000528598;4,4,6-Trimethyl-1,3-oxazinane-2-thione #;4,4,6-Trimethyltetrahydro-2H-1,3-oxazine-2-thione;4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine-2-thiol;4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazine-2-thione

Chemical Property of 4,4,6-Trimethyl-1,3-oxazinane-2-thione

Chemical Property:

• Vapor Pressure: 0.907mmHg at 25°C
• Melting Point: 210-211 °C
• Boiling Point: 180.2°Cat760mmHg
• PKA: 13.90±0.60(Predicted)
• Flash Point: 62.8°C
• PSA: 53.35000
• Density: 1.08g/cm³
• LogP: 1.77710
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 159.07178521
• Heavy Atom Count: 10
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(NC(=S)O1)(C)C

Technology Process of 4,4,6-Trimethyl-1,3-oxazinane-2-thione

There total 5 articles about 4,4,6-Trimethyl-1,3-oxazinane-2-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: 99.0%

N-(2-methyl-4-hydroxy-2-pentyl)dithiocarbamic acid methyl ester (60431-68-7) → 4,4,6-Trimethyl-tetrahydro-[1,3]oxazin-2-thion (17374-19-5)

Guidance literature:

N-(2-methyl-4-hydroxy-2-pentyl)dithiocarbamic acid methyl ester; With sodium tetrahydroborate; In ethanol; for 1h;

With sodium hydroxide; In ethanol;

DOI:10.1023/A:1011660706513

Reference yield: 98.7%

methyl N-(2-methyl-4-oxopentyl-1)dithiocarbamate (58417-81-5) → 4,4,6-Trimethyl-tetrahydro-[1,3]oxazin-2-thion (17374-19-5)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 1h;

DOI:10.1007/BF01165021

Reference yield:

→ 4,4,6-Trimethyl-tetrahydro-[1,3]oxazin-2-thion (17374-19-5)

Guidance literature:

With sodium hydroxide; toluene-4-sulfonic acid;

upstream raw materials:

methyl N-(2-methyl-4-oxopentyl-1)dithiocarbamate

N-(2-methyl-4-hydroxy-2-pentyl)dithiocarbamic acid methyl ester

4-isothiocyanato-4-methylpentan-2-one

Refernces

• 1、 Fisyuk, A. S.,Ryzhova, E. V.,Unkovskii, B. V.. "SYNTHESIS OF TETRAHYDRO-1,3-OXAZIN-2-ONES AND -2-THIONES FROM ESTERS OF N-(3-OXOALKYL)CARBAMIC AND -DITHIOCARBAMIC ACIDS". . p. 238 - 242. Retrieved 2007/10/02.