2-(1,3-Benzoxazol-2-ylsulfanyl)acetohydrazide

Base Information

• Chemical Name: 2-(1,3-Benzoxazol-2-ylsulfanyl)acetohydrazide
• CAS No.: 113546-63-7
• Molecular Formula: C9H9 N3 O2 S
• Molecular Weight: 223.255
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10353716
• Wikidata: Q82131451
• Mol file: 113546-63-7.mol

Synonyms:113546-63-7;2-(1,3-benzoxazol-2-ylsulfanyl)acetohydrazide;(Benzooxazol-2-ylsulfanyl)-acetic acid hydrazide;2-(Benzo[d]oxazol-2-ylthio)acetohydrazide;Acetic acid, 2-(2-benzoxazolylthio)-, hydrazide;Cambridge id 5666467;Oprea1_057109;Oprea1_507116;DTXSID10353716;HMS1608B22;MFCD00474722;STK224852;AKOS000116256;2-(1,3-benzoxazol-2-ylthio)acetohydrazide;CS-0219296;EN300-03629;(benzooxazol-2-ylsulfanyl)acetic acid hydrazide;AB00092496-01;2-[(1,3-Benzoxazol-2-yl)sulfanyl]acetohydrazide;SR-01000408617;SR-01000408617-1;(BENZOOXAZOL-2-YLSULFANYL)-ACETICACIDHYDRAZIDE;Z56822979

Chemical Property of 2-(1,3-Benzoxazol-2-ylsulfanyl)acetohydrazide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 109.94000
• Density: 1.44g/cm³
• LogP: 2.45040
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 223.04154771
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

97% ^*data from raw suppliers

2-(1,3-Benzoxazol-2-ylsulfanyl)acetohydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)SCC(=O)NN

Technology Process of 2-(1,3-Benzoxazol-2-ylsulfanyl)acetohydrazide

There total 5 articles about 2-(1,3-Benzoxazol-2-ylsulfanyl)acetohydrazide 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: 92.0%

methyl (2-benzoxazolylthio)acetate (73824-26-7) → 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(hydrazinyloxy)ethanone (113546-63-7)

Guidance literature:

With hydrazine hydrate; In isopropyl alcohol; for 3h; Ambient temperature;

Reference yield: 74.0%

benzoxazol-2'-yl-mercaptoacetic acid ethyl ester (73824-25-6) → 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(hydrazinyloxy)ethanone (113546-63-7)

Guidance literature:

With hydrazine hydrate; In methanol; for 5h; Heating;

Reference yield:

2-sulfanyl-1,3-benzoxazole (2382-96-9,118090-08-7) → 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(hydrazinyloxy)ethanone (113546-63-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / aq. KOH / propan-2-ol / 3 h / 70 °C

2: 92 percent / N₂H₄*H₂O / propan-2-ol / 3 h / Ambient temperature

With potassium hydroxide; hydrazine hydrate; In isopropyl alcohol;

upstream raw materials:

benzoxazol-2'-yl-mercaptoacetic acid ethyl ester

methyl (2-benzoxazolylthio)acetate

2-sulfanyl-1,3-benzoxazole

chloroacetic acid ethyl ester

Downstream raw materials:

2-(Benzooxazol-2-ylsulfanyl)-N-{4-[1-(4-hydroxy-3-methoxy-phenyl)-meth-(Z)-ylidene]-5-oxo-2-phenyl-4,5-dihydro-imidazol-1-yl}-acetamide

2-(Benzooxazol-2-ylsulfanyl)-N-{4-[1-(4-hydroxy-phenyl)-meth-(Z)-ylidene]-5-oxo-2-phenyl-4,5-dihydro-imidazol-1-yl}-acetamide

2-(Benzooxazol-2-ylsulfanyl)-N-{2-methyl-4-[1-(3-nitro-phenyl)-meth-(Z)-ylidene]-5-oxo-4,5-dihydro-imidazol-1-yl}-acetamide

2-(Benzooxazol-2-ylsulfanyl)-N-{2-methyl-4-[1-(4-nitro-phenyl)-meth-(Z)-ylidene]-5-oxo-4,5-dihydro-imidazol-1-yl}-acetamide