CAS
823-56-3 Purity
>98.0%(GC)
823-56-3 Purity
>98.0%(GC)
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C3-NITRO-4-METHYLAMINO-BENZOYLCHLORIDE
CAS
82357-48-0
Catalog Number
ACM82357480
Category
Other Products
Molecular Weight
214.60578
Molecular Formula
C8H7ClN2O3
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- Product Description
- Case Study
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- Synthetic Use
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Specification
Synonyms
C3-NITRO-4-METHYLAMINO-BENZOYLCHLORIDE;Benzoyl chloride, 4-(methylamino)-3-nitro- (9CI);3-NITRO-4-METHYLAMINO-BENZOYLCHLORIDE
IUPAC Name
4-(methylamino)-3-nitrobenzoyl chloride
SMILES
CNC1=C(C=C(C=C1)C(=O)Cl)[N+](=O)[O-]
InChI Key
LIRZLGQEZXAOQR-UHFFFAOYSA-N
Boiling Point
353.3ºC at 760 mmHg
Flash Point
167.5ºC
Density
1.458g/cm³
Exact Mass
214.01500
H-Bond Acceptor
4
H-Bond Donor
1
Upstream Synthesis Route 1
- 41263-74-5
- 82357-48-0
Reference: [1]Bioorganic and Medicinal Chemistry Letters,2000,vol. 10,p. 2325 - 2327
Downstream Synthesis Route 1
- 82357-48-0
- 212322-56-0
Reference: [1] Journal of Medicinal Chemistry, 2002, vol. 45, # 9, p. 1757 - 1766
[2] Patent: WO2012/4397, 2012, A1,
[3] Patent: WO2015/128875, 2015, A2,
[4] Patent: CN103524559, 2016, B,
Downstream Synthesis Route 2
- 82357-48-0
- 211915-06-9
Reference: [1] Journal of Medicinal Chemistry, 2002, vol. 45, # 9, p. 1757 - 1766
Downstream Synthesis Route 3
- 103041-38-9
- 82357-48-0
- 429659-01-8
Reference: [1]Journal of Medicinal Chemistry,2002,vol. 45,p. 1757 - 1766
[2]Patent: WO2015/128875,2015,A2 .Location in patent: Page/Page column 41; 42
[3]Patent: CN103524559,2016,B .Location in patent: Paragraph 0096; 0111-0113
[4]Journal of Structural Chemistry,2019,vol. 60,p. 2009 - 2014
Zh. Strukt. Kim.,2019,vol. 60,p. 2097 - 2102,6
Downstream Synthesis Route 4
- 82357-48-0
- 211915-84-3
Reference: [1]Journal of Medicinal Chemistry,2002,vol. 45,p. 1757 - 1766
[2]Patent: WO2013/24384,2013,A1
[3]Patent: WO2015/128875,2015,A2
[4]Patent: CN103524559,2016,B
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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