5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-amine

Base Information

• Chemical Name: 5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-amine
• CAS No.: 2138-98-9
• Molecular Formula: C8H6ClN3O
• Molecular Weight: 195.608
• Hs Code.: 2934999090
• European Community (EC) Number: 624-405-2
• Nikkaji Number: J3.351.283J
• ChEMBL ID: CHEMBL2426229
• Mol file: 2138-98-9.mol

Synonyms:5-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine;2138-98-9;2-Amino-5-(2-chlorophenyl)-1,3,4-oxadiazole;SCHEMBL1143488;CHEMBL2426229;AMY24837;AOD100087;MFCD00469199;STK399862;AKOS000160796;CCG-276008;AS-43472;FT-0652920;5-(2-Chlorophenyl)-1,3,4-oxadiazole-2-amine;J-014027;2-Amino-5-(2-chlorophenyl)-1,3,4-oxadiazole, 97%;F2146-0066

Chemical Property of 5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-amine

Chemical Property:

• Vapor Pressure: 0.000657mmHg at 25°C
• Melting Point: 165-169 °C
• Refractive Index: 1.557
• Boiling Point: 358.3 °C at 760 mmHg
• Flash Point: 170.5 °C
• PSA: 64.94000
• Density: 1.415 g/cm³
• LogP: 2.55340
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 195.0199395
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=NN=C(O2)N)Cl
• Uses: 5-(2-Chlorophenyl)-1,3,4-Oxadiazol-2-Amine was used as a reactant in the synthesis of 3-?(1,?3,?4-?oxadiazol-?2-?yl)?quinazolin-?4(3H)?-?ones which was studied for their antimicrobial activity against various bacteria and fungi.

Technology Process of 5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-amine

There total 9 articles about 5-(2-Chlorophenyl)-1,3,4-oxadiazol-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: 94.0%

2-[(2-chlorophenyl)methylene]hydrazinecarboxamide (5315-85-5,120445-39-8) → 2-amino-5-(o-chlorophenyl)-1,3,4-oxadiazole (2138-98-9)

Guidance literature:

With carbon tetrabromide; eosin y; In acetonitrile; at 20 ℃; Irradiation;

DOI:10.1055/s-0034-1380493

Reference yield: 82.0%

C8H8ClN3O (5315-85-5) → 2-amino-5-(o-chlorophenyl)-1,3,4-oxadiazole (2138-98-9)

Guidance literature:

With lithium perchlorate; In acetonitrile; at 20 ℃; for 3h; Electrolysis;

Reference yield: 80.0%

4-(o-chloro)benzoylthiosemicarbazide (830-86-4) → 2-amino-5-(o-chlorophenyl)-1,3,4-oxadiazole (2138-98-9)

Guidance literature:

With Oxone; iodine; sodium hydroxide; In water; isopropyl alcohol; at 0 - 20 ℃; for 0.5h;

DOI:10.3184/174751912X13551638283701

upstream raw materials:

2-[(2-chlorophenyl)methylene]hydrazinecarboxamide

4-(o-chloro)benzoylthiosemicarbazide

2-chloro-benzaldehyde

hydrazine carboxamide

Downstream raw materials:

1-[5-(2-chloro-phenyl)-[1,3,4]oxadiazol-2-yl]-3-phenyl-urea

5-(2-chloro-phenyl)-3-(3-chloro-propionyl)-3H-[1,3,4]oxadiazol-2-ylideneamine

N'-[5-(2-chloro-phenyl)-[1,3,4]oxadiazol-2-yl]-N,N-dimethyl-formamidine

[5-(2-chloro-phenyl)-[1,3,4]oxadiazol-2-ylamino]-methanol

Refernces

• 1、 Han, Xu,Liu, Xin Hua,Ma, Duo,Yu, Yun Long,Zhang, Zhao Yan. "Synthesis, telomerase inhibitory and anticancer activity of new 2-phenyl-4H-chromone derivatives containing 1,3,4-oxadiazole moiety". . p. 344 - 360. Retrieved 2021/01/06.
• 2、 Gummidi, Lalitha,Kerru, Nagaraju,Awolade, Paul,Raza, Asif,Sharma, Arun K.,Singh, Parvesh. "Synthesis of indole-tethered [1,3,4]thiadiazolo and [1,3,4]oxadiazolo[3,2-a]pyrimidin-5-one hybrids as anti-pancreatic cancer agents". . . Retrieved 2020/09/18.