1355338-16-7,MFCD26383530
Catalog No.:AA00A3C1

1355338-16-7 | 2-(4-Amino-3-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$227.00   $159.00
- +
250mg
98%
in stock  
$338.00   $237.00
- +
1g
98%
in stock  
$846.00   $592.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00A3C1
Chemical Name:
2-(4-Amino-3-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CAS Number:
1355338-16-7
Molecular Formula:
C9H6F7NO
Molecular Weight:
277.1389
MDL Number:
MFCD26383530
SMILES:
Nc1ccc(cc1F)C(C(F)(F)F)(C(F)(F)F)O
Properties
Computed Properties
 
Complexity:
286  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
2.5  

Upstream Synthesis Route

[1]Patent:US2017/166527,2017,A1,.Locationinpatent:Paragraph0639-0640

[2]Patent:WO2017/127442,2017,A1,.Locationinpatent:Paragraph0188

[3]ACSMedicinalChemistryLetters,2018,vol.9,#7,p.641-645

[4]ChineseJournalofChemistry,2012,vol.30,#6,p.1310-1314

[5]Patent:US9586928,2017,B2,.Locationinpatent:Page/Pagecolumn134

Downstream Synthesis Route
3-(1,1-dimethyl-2-methylthioethylimino)-4-iodo-3H-isobenzofuran-1-one 
  1355338-16-7   
C22H20F7IN2O3S 

[1]ChineseJournalofChemistry,2012,vol.30,p.1310-1314

3-(1,1-dimethyl-2-methylthioethylimino)-4-iodo-3H-isobenzofuran-1-one 
  1355338-16-7    1355338-09-8 

[1]ChineseJournalofChemistry,2012,vol.30,p.1310-1314

[1]Patent:US2017/166527,2017,A1.Locationinpatent:Paragraph0639-0640

[2]Patent:WO2017/127442,2017,A1.Locationinpatent:Paragraph0188

[3]ACSMedicinalChemistryLetters,2018,vol.9,p.641-645

[4]ChineseJournalofChemistry,2012,vol.30,p.1310-1314

[5]Patent:US9586928,2017,B2.Locationinpatent:Page/Pagecolumn134

383135-47-5    1355338-16-7   
2-(4-(ethylsulfonyl)phenyl)-N-(2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)acetamide 

[1]Patent:WO2015/82533,2015,A1.Locationinpatent:Page/Pagecolumn50-51

1355338-16-7   
1,1,1,3,3,3-hexafluoro-2-(3-fluoro-4-iodophenyl)propan-2-ol 

[1]Patent:WO2017/127442,2017,A1.Locationinpatent:Paragraph0189

[2]JournalofMedicinalChemistry,2019,vol.62,p.4716-4730

[3]Patent:CN109879784,2019,A.Locationinpatent:Paragraph0054;0059-0061

[4]Patent:US9586928,2017,B2.Locationinpatent:Page/Pagecolumn134;135

Literature
Quotation Request
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Additional Info:
SDS
Tags:1355338-16-7 Molecular Formula|1355338-16-7 MDL|1355338-16-7 SMILES|1355338-16-7 2-(4-Amino-3-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Catalog No.: AA00A3C1
1355338-16-7,MFCD26383530
1355338-16-7 | 2-(4-Amino-3-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Pack Size: 100mg
Purity: 98%
in stock
$227.00 $159.00
Pack Size: 250mg
Purity: 98%
in stock
$338.00 $237.00
Pack Size: 1g
Purity: 98%
in stock
$846.00 $592.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00A3C1
Chemical Name: 2-(4-Amino-3-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CAS Number: 1355338-16-7
Molecular Formula: C9H6F7NO
Molecular Weight: 277.1389
MDL Number: MFCD26383530
SMILES: Nc1ccc(cc1F)C(C(F)(F)F)(C(F)(F)F)O
Properties
Complexity: 286  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 9  
Hydrogen Bond Donor Count: 2  
Rotatable Bond Count: 1  
XLogP3: 2.5  
Upstream Synthesis Route
348-54-9    684-16-2    1355338-16-7 

[1]Patent:US2017/166527,2017,A1,.Locationinpatent:Paragraph0639-0640

[2]Patent:WO2017/127442,2017,A1,.Locationinpatent:Paragraph0188

[3]ACSMedicinalChemistryLetters,2018,vol.9,#7,p.641-645

[4]ChineseJournalofChemistry,2012,vol.30,#6,p.1310-1314

[5]Patent:US9586928,2017,B2,.Locationinpatent:Page/Pagecolumn134

Downstream Synthesis Route
3-(1,1-dimethyl-2-methylthioethylimino)-4-iodo-3H-isobenzofuran-1-one 
  1355338-16-7   
C22H20F7IN2O3S 

[1]ChineseJournalofChemistry,2012,vol.30,p.1310-1314

3-(1,1-dimethyl-2-methylthioethylimino)-4-iodo-3H-isobenzofuran-1-one 
  1355338-16-7    1355338-09-8 

[1]ChineseJournalofChemistry,2012,vol.30,p.1310-1314

348-54-9    684-16-2    1355338-16-7 

[1]Patent:US2017/166527,2017,A1.Locationinpatent:Paragraph0639-0640

[2]Patent:WO2017/127442,2017,A1.Locationinpatent:Paragraph0188

[3]ACSMedicinalChemistryLetters,2018,vol.9,p.641-645

[4]ChineseJournalofChemistry,2012,vol.30,p.1310-1314

[5]Patent:US9586928,2017,B2.Locationinpatent:Page/Pagecolumn134

383135-47-5    1355338-16-7   
2-(4-(ethylsulfonyl)phenyl)-N-(2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)acetamide 

[1]Patent:WO2015/82533,2015,A1.Locationinpatent:Page/Pagecolumn50-51

1355338-16-7   
1,1,1,3,3,3-hexafluoro-2-(3-fluoro-4-iodophenyl)propan-2-ol 

[1]Patent:WO2017/127442,2017,A1.Locationinpatent:Paragraph0189

[2]JournalofMedicinalChemistry,2019,vol.62,p.4716-4730

[3]Patent:CN109879784,2019,A.Locationinpatent:Paragraph0054;0059-0061

[4]Patent:US9586928,2017,B2.Locationinpatent:Page/Pagecolumn134;135

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