N-benzyl-5,6-dihydro-4H-1,3-thiazin-2-amine

Base Information

• Chemical Name: N-benzyl-5,6-dihydro-4H-1,3-thiazin-2-amine
• CAS No.: 30480-73-0
• Molecular Formula: C₁₁H₁₄N₂S
• Molecular Weight: 206.312
• Hs Code.: 2934999090
• European Community (EC) Number: 867-549-3
• DSSTox Substance ID: DTXSID40368696
• Wikidata: Q82155438
• Mol file: 30480-73-0.mol

Synonyms:30480-73-0;N-benzyl-5,6-dihydro-4H-1,3-thiazin-2-amine;Benzyl-(5,6-dihydro-4H-[1,3]thiazin-2-yl)-amine;4H-1,3-Thiazin-2-amine, 5,6-dihydro-N-(phenylmethyl)-;DTXSID40368696;HMS1735E14;AKOS000116033;WAY-616179;2-benzylamino-5,6-dihydro-4h-1,3-thiazine;CS-0218939;EN300-02511;Z48963283

Chemical Property of N-benzyl-5,6-dihydro-4H-1,3-thiazin-2-amine

Chemical Property:

• Vapor Pressure: 5.21E-05mmHg at 25°C
• Melting Point: 95-96 °C(Solv: isopropanol (67-63-0))
• Boiling Point: 347.9°C at 760 mmHg
• PKA: 6.94±0.20(Predicted)
• Flash Point: 164.2°C
• PSA: 49.69000
• Density: 1.16g/cm³
• LogP: 2.09560
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 206.08776963
• Heavy Atom Count: 14
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

N-benzyl-5,6-dihydro-4H-1,3-thiazin-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN=C(SC1)NCC2=CC=CC=C2

Technology Process of N-benzyl-5,6-dihydro-4H-1,3-thiazin-2-amine

There total 10 articles about N-benzyl-5,6-dihydro-4H-1,3-thiazin-2-amine 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: 58.0%

N-benzyl-N'-(3-hydroxy-propyl)-thiourea (74787-69-2) → benzylamino-2 4H dihydro-5,6 thiazine-1,3 (30480-73-0)

Guidance literature:

With hydrogenchloride; sodium carbonate; for 24h; Heating;

DOI:10.1016/0223-5234(89)90011-1

Reference yield: 43.8%

N-benzyl-N'-(3-hydroxy-propyl)-thiourea (74787-69-2) → Benzyl-[1,3]thiazinan-(2Z)-ylidene-amine (30480-73-0)

Guidance literature:

In hydrogenchloride; for 1h; Heating;

Reference yield:

2-methylsulfanyl-5,6-dihydro-4H-[1,3]thiazine; hydriodide (64228-00-8) + benzylamine (100-46-9) → benzylamino-2 4H dihydro-5,6 thiazine-1,3 (30480-73-0)

Guidance literature:

With methanol; anschliessend Behandeln mit einem Ionenaustauscher;

DOI:10.1021/ja01546a036

upstream raw materials:

2-methylsulfanyl-5,6-dihydro-4H-[1,3]thiazine; hydriodide

benzylamine

Benzyl isothiocyanate

3-bromopropylamine hydrochloride

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