3-methyl-4H-1,4-benzothiazine-2-carbohydrazide

Base Information

• Chemical Name: 3-methyl-4H-1,4-benzothiazine-2-carbohydrazide
• CAS No.: 169058-47-3
• Molecular Formula: C₁₀H₁₁N₃OS
• Molecular Weight: 221.283
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80369440
• Wikidata: Q82156516
• Mol file: 169058-47-3.mol

Synonyms:3-methyl-4H-1,4-benzothiazine-2-carbohydrazide;169058-47-3;3-Methyl-4H-benzo[b][1,4]thiazine-2-carbohydrazide;3-METHYL-1,4(4H)-BENZOTHIAZINE-2-CARBOXYLIC ACID HYDRAZIDE;Maybridge4_003229;DTXSID80369440;HMS1530C17;STL169664;AKOS002665492;BS-4300;CCG-249047;CS-0320831;BRD-K72938376-001-01-3;3-METHYL-1,4(4H)-BENZOTHIAZINE-2-CARBOXYLICACIDHYDRAZIDE

Chemical Property of 3-methyl-4H-1,4-benzothiazine-2-carbohydrazide

Chemical Property:

• PSA: 95.94000
• LogP: 3.10420
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 221.06228316
• Heavy Atom Count: 15
• Complexity: 303

Purity/Quality:

99% ^*data from raw suppliers

3-methyl-4H-1,4-benzothiazine-2-carbohydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC2=CC=CC=C2N1)C(=O)NN

Technology Process of 3-methyl-4H-1,4-benzothiazine-2-carbohydrazide

There total 2 articles about 3-methyl-4H-1,4-benzothiazine-2-carbohydrazide 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: 60.0%

2-ethoxycarbonyl-3-methyl-4H-benzo<1,4>thiazine (7625-01-6) → C10H11N3OS (169058-47-3)

Guidance literature:

With sulfuric acid; hydrazine hydrate; In ethanol; for 2h; Reflux;

Reference yield:

2-amino-benzenethiol (137-07-5) → C10H11N3OS (169058-47-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrazine hydrate / ethanol / 100 °C

1.2: 0.17 h / 100 °C

2.1: sulfuric acid; hydrazine hydrate / ethanol / 2 h / Reflux

With sulfuric acid; hydrazine hydrate; In ethanol;

Reference yield: 67.0%

C10H11N3OS (169058-47-3) + 1-isothiocyanato-4-methylbenzene (622-59-3) → C18H18N4OS2 (169059-06-7)

Guidance literature:

In ethanol; for 2h; Reflux;

upstream raw materials:

2-ethoxycarbonyl-3-methyl-4H-benzo<1,4>thiazine

2-amino-benzenethiol

Downstream raw materials:

C₁₇H₁₄N₄OS

C₁₇H₁₃ClN₄OS

C₁₇H₁₃BrN₄OS

C₁₈H₁₆N₄OS