p,p'-Amino-DDT

Base Information

• Chemical Name: p,p'-Amino-DDT
• CAS No.: 4485-25-0
• Molecular Formula: C14H13Cl3N2
• Molecular Weight: 315.64
• Hs Code.: 2921590090
• NSC Number: 15802
• UNII: 4X45W8W8HZ
• DSSTox Substance ID: DTXSID10196322
• Nikkaji Number: J13.689A
• Wikidata: Q83069388
• Mol file: 4485-25-0.mol

Synonyms:p,p'-Amino-DDT;DADT;4485-25-0;p,p'-NH2-DDT;p,p'-Diaminodiphenyltrichloroethane;2,2-Bis(p-aminophenyl)-1,1,1-trichloroethane;NSC 15802;Aniline, 4,4'-(2,2,2-trichloroethylidene)di-;BRN 2980482;Benzenamine, 4,4'-(2,2,2-trichloroethylidene)bis-;ETHANE, 2,2-BIS(p-AMINOPHENYL)-1,1,1-TRICHLORO-;2,2-Bis(p-aniline)-1,1,1-trichloroethane;NSC-15802;3-13-00-00478 (Beilstein Handbook Reference);Aniline, 4,4'-(2,2,2-trichloroethylidene)di- (8CI);4-[1-(4-aminophenyl)-2,2,2-trichloroethyl]aniline;WLN: ZR DYR DZ&XGGG;C14H13Cl3N2;4X45W8W8HZ;DTXSID10196322;C14-H13-Cl3-N2;NSC15802;LS-65180;p,p'-(2,2,2-Trichloroethylidene)dianiline;Aniline,4'-(2,2,2-trichloroethylidene)di-;Ethane,2-bis(p-aminophenyl)-1,1,1-trichloro-;Benzenamine,4'-(2,2,2-trichloroethylidene)bis-;4,4'-(2,2,2-Trichloroethylidene)bis[benzenamine];4-[1-(4-aminophenyl)-2,2,2-trichloro-ethyl]aniline

Chemical Property of p,p'-Amino-DDT

Chemical Property:

• Refractive Index: 1.6000 (estimate)
• Boiling Point: 470.89°C (rough estimate)
• Flash Point: 246.9oC
• PSA: 52.04000
• Density: 1.3381 (rough estimate)
• LogP: 5.51550
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 314.014432
• Heavy Atom Count: 19
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)N)C(Cl)(Cl)Cl)N

Technology Process of p,p'-Amino-DDT

There total 2 articles about p,p'-Amino-DDT 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: 68.7%

1,1,1-trichloro-2,2-bis-(4-nitro-phenyl)-ethane (2971-23-5) → 1,1,1-trichloro-2,2-bis(4-aminophenyl)ethane (4485-25-0)

Guidance literature:

With hydrogenchloride; tin(ll) chloride; In ethanol; for 1h; Heating;

Reference yield:

2,2-bis(phenyl)-1,1,1-trichloroethane (2971-22-4) → 1,1,1-trichloro-2,2-bis(4-aminophenyl)ethane (4485-25-0)

Guidance literature:

Multi-step reaction with 2 steps

1: HNO₃ / -30 - -15 °C

2: tin (II)-chloride; aq.-ethanolic hydrochloric acid

With hydrogenchloride; nitric acid; tin(ll) chloride;

DOI:10.1021/ja01202a008

Reference yield: 90.9%

1,1,1-trichloro-2,2-bis(4-aminophenyl)ethane (4485-25-0) → 1,1-dichloro-2,2-bis(4-aminophenyl)ethylene (51348-08-4)

Guidance literature:

With potassium hydroxide; In ethanol; for 1h; Heating;

upstream raw materials:

1,1,1-trichloro-2,2-bis-(4-nitro-phenyl)-ethane

2,2-bis(phenyl)-1,1,1-trichloroethane

Downstream raw materials:

1,1-dichloro-2,2-bis(4-aminophenyl)ethylene

2,2-bis-(4-acetylamino-phenyl)-1,1,1-trichloro-ethane

1,1-dichloro-2,2-bis(4-isocyanatophenyl)ethylene

Refernces

• 1、 Nowakowski, Jerzy. "DERIVATIVES OF CARBAMIC ACID AND UREA. PART IV. NEW ALKYL DICARBAMATES AND N,N-DIALKYL DIUREAS OF 1,1-DICHLORO-2,2-DIPHENYLETHYLENE SERIES". . p. 725 - 729. Retrieved 2007/10/02.