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5369-16-4,MFCD00092918
Catalog No.:AA003IUP

5369-16-4 | 3-Isopropylaniline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
97%
in stock  
$11.00   $8.00
- +
10g
97%
in stock  
$14.00   $10.00
- +
25g
95%
in stock  
$32.00   $23.00
- +
100g
95%
in stock  
$96.00   $67.00
- +
500g
97%
in stock  
$408.00   $286.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003IUP
Chemical Name:
3-Isopropylaniline
CAS Number:
5369-16-4
Molecular Formula:
C9H13N
Molecular Weight:
135.2062
MDL Number:
MFCD00092918
SMILES:
Nc1cccc(c1)C(C)C
Properties
Properties
 
BP:
222.8°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
1.5445 (589.3 nm 20℃)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
98.9  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.2  

Upstream Synthesis Route

[1]Patent:EP1364949,2003,A1,.Locationinpatent:Page/Pagecolumn78

[1]Patent:US5270309,1993,A,

[1]JournaloftheAmericanChemicalSociety,1985,vol.107,p.1556-1561

[2]JournaloftheAmericanChemicalSociety,1985,vol.107,p.1556-1561

[1]JournalofOrganicChemistry,1954,vol.19,p.1067,1073

[2]JournalofOrganicChemistry,1951,vol.16,p.586,606

[3]JournalofMedicinalChemistry,2009,vol.52,#12,p.3703-3715

[1]JournaloftheChemicalSociety,PerkinTransactions1:OrganicandBio-OrganicChemistry(1972-1999),1993,#7,p.867-870

Downstream Synthesis Route

[1]YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1955,vol.75,p.289,291    Chem.Abstr.,1956,p.2502

5369-16-4    214470-55-0   
4-(3-isopropyl-phenylamino)-6,7-dimethoxy-quinoline-3-carbonitrile 

[1]JournalofMedicinalChemistry,2000,vol.43,p.3244-3256

[1]Kai,Hiroyuki;Morioka,Yasuhide;Murashi,Takami;Morita,Koichi;Shinonome,Satomi;Nakazato,Hitoshi;Kawamoto,Keiko;Hanasaki,Kohji;Takahashi,Fumiyo;Mihara,Shin-ichi;Arai,Tohko;Abe,Kohji;Okabe,Hiroshi;Baba,Takahiko;Yoshikawa,Takayoshi;Takenaka,Hideyuki[BioorganicandMedicinalChemistryLetters,2007,vol.17,#14,p.4030-4034]

[2]Kai,Hiroyuki;Morioka,Yasuhide;Tomida,Minoru;Takahashi,Tadashi;Hattori,Maki;Hanasaki,Kohji;Koike,Katsumi;Chiba,Hiroki;Shinohara,Shunji;Kanemasa,Toshiyuki;Iwamoto,Yuka;Takahashi,Kohji;Yamaguchi,Yoshitaka;Baba,Takahiko;Yoshikawa,Takayoshi;Takenaka,Hideyuki[BioorganicandMedicinalChemistryLetters,2007,vol.17,#14,p.3925-3929]

[3]Götz,KathrinH.;Hacker,StephanM.;Mayer,Daniel;Dürig,Jan-Niklas;Stenger,Steffen;Marx,Andreas[ACSChemicalBiology,2017,vol.12,#10,p.2682-2689]

[1]JournalofOrganicChemistry,1951,vol.16,p.586,606

[1]Patent:EP1364949,2003,A1.Locationinpatent:Page/Pagecolumn78

Literature
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