2-Phenyl-1,2,3,4-tetrahydroquinoxaline

Base Information

• Chemical Name: 2-Phenyl-1,2,3,4-tetrahydroquinoxaline
• CAS No.: 5021-47-6
• Molecular Formula: C14H14N2
• Molecular Weight: 210.279
• Hs Code.: 2933990090
• European Community (EC) Number: 694-758-5
• DSSTox Substance ID: DTXSID70549512
• Nikkaji Number: J1.988.426K
• Mol file: 5021-47-6.mol

Synonyms:2-Phenyl-1,2,3,4-tetrahydroquinoxaline;5021-47-6;2-Phenyl-1,2,3,4-tetrahydro-quinoxaline;MFCD08692528;SCHEMBL14720366;DTXSID70549512;AKOS005255909;2-Phenyl-1,2,3,4-tetrahydroquinoxaline, 95%;EN300-7493906;Z1389345725

Chemical Property of 2-Phenyl-1,2,3,4-tetrahydroquinoxaline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 94-99°C
• Refractive Index: 1.589
• Boiling Point: 395.5°Cat760mmHg
• PKA: 3.84±0.70(Predicted)
• Flash Point: 258.2°C
• PSA: 24.06000
• Density: 1.092g/cm³
• LogP: 3.54130
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 210.115698455
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-Phenyl-1,2,3,4-tetrahydroquinoxaline 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N
• Statements: 25-51/53
• Safety Statements: 45-61

MSDS Files:

Useful:

• Canonical SMILES: C1C(NC2=CC=CC=C2N1)C3=CC=CC=C3

Technology Process of 2-Phenyl-1,2,3,4-tetrahydroquinoxaline

There total 17 articles about 2-Phenyl-1,2,3,4-tetrahydroquinoxaline 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: 97.0%

2-phenylquinoxaline (5021-43-2) → 2-phenyl-1,2,3,4-tetrahydro-quinoxaline (5021-47-6)

Guidance literature:

2-phenylquinoxaline; With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide; sodium formate; sodium acetate; acetic acid; In water; at 80 ℃; for 10h; pH=4.3;

With potassium hydroxide; In water; regioselective reaction;

DOI:10.1016/j.tet.2011.06.067

Reference yield: 88.0%

phenylglyoxylic acid ethyl ester (1603-79-8) + 1,2-diamino-benzene (95-54-5) → 2-phenyl-1,2,3,4-tetrahydro-quinoxaline (5021-47-6)

Guidance literature:

With tris(pentafluorophenyl)borate; In toluene; at 110 ℃; for 16h;

DOI:10.1039/c7gc03095a

Reference yield: 87.0%

3-phenylquinoxaline-2(1H)-one (1504-78-5) → 2-phenyl-1,2,3,4-tetrahydro-quinoxaline (5021-47-6)

Guidance literature:

With borane-ammonia complex; boron trifluoride diethyl etherate; tris(pentafluorophenyl)borate; In 1,2-dichloro-ethane; at 60 ℃; for 16h;

DOI:10.1002/adsc.201801447

upstream raw materials:

2-phenylquinoxaline

bromo-phenyl-acetic acid methyl ester

1,2-diamino-benzene

3-phenyl-1,2-dihydro-2H-quinoxaline

Downstream raw materials:

2-phenylquinoxaline

1-(3-trifluoromethoxy)benzyl-3-phenyl-1,2,3,4-tetrahydroquinoxaline

(R)-2-phenyl-1,2,3,4-tetrahydroquinoxaline

(S)-2-phenyl-1,2,3,4-tetrahydroquinoxaline

Refernces

• 1、 -. "Preparation method of tetrahydroquinoxaline compound". Paragraph 0021-0022. . Retrieved 2021/01/28.
• 2、 Lei, Hong-Xu,Zhang, KaiLi,Qin, Yu-Xi,Dong, Rong-Jian,Chen, De-Zhan,Zhou, HaiFeng,Sheng, Xie-Huang. "A quantum-chemical approach to develop tetrahydroquinoxaline as potent ferroptosis inhibitors". . . Retrieved 2020/11/10.