Home Cart 0 Sign in  

[ CAS No. 952511-74-9 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 952511-74-9
Chemical Structure| 952511-74-9
Structure of 952511-74-9 *Storage: {[proInfo.prStorage]}

Quality Control of [ 952511-74-9 ]

Related Doc. of [ 952511-74-9 ]

SDS
Alternatived Products of [ 952511-74-9 ]
Alternatived Products of [ 952511-74-9 ]

Product Details of [ 952511-74-9 ]

CAS No. :952511-74-9MDL No. :MFCD18642364
Formula : C7H9BrN2 Boiling Point : 297.3±35.0°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :201.06Pubchem ID :59214273
Synonyms :

Computed Properties of [ 952511-74-9 ]

TPSA : 52 H-Bond Acceptor Count : 2
XLogP3 : 1.6 H-Bond Donor Count : 2
SP3 : 0.14 Rotatable Bond Count : 0

Safety of [ 952511-74-9 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P280-P305+P351+P338UN#:N/A
Hazard Statements:H302Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 952511-74-9 ]

  • Upstream synthesis route of [ 952511-74-9 ]
  • Downstream synthetic route of [ 952511-74-9 ]

[ 952511-74-9 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 290353-57-0 ]
  • [ 952511-74-9 ]
YieldReaction ConditionsOperation in experiment
91% With tin(II) chloride dihdyrate In ethanol; ethyl acetate at 80℃; for 12 h; step 2: A mixture of 154 (40 g,154 mmol), SnCl2-2H20 (208 g, 920 mmol), EtOAc (300 mL) and EtOH (150 mL) was heated to 80 °C for 12 h, cooled to RT, poured into crushed ice (2 Kg) and the pH adjusted to pH 7-8 with solid NaHCC>3. The solid was filtered and washed with EtOAc. The filtrate was thrice extracted with EtOAc. The combined extracts were washed with brine, dried (Na2SO (), filtered and concentrated in vacuo. The crude product was purified by Si02 chromatography eluting with an EtOAc/hexane gradient (10 to 50percent EtOAc) to afford 28 g (91percent) of 4-bromo-3 -methyl- 1,2- benzenediamine (156) as a brown oil: MS (ESI) m/z = 202 [M+l]+.
Reference: [1] Patent: WO2013/26914, 2013, A1, . Location in patent: Page/Page column 143
[2] Patent: US2010/222345, 2010, A1, . Location in patent: Page/Page column 87
  • 2
  • [ 55289-36-6 ]
  • [ 952511-74-9 ]
Reference: [1] Patent: WO2012/83170, 2012, A1,
  • 3
  • [ 1325729-87-0 ]
  • [ 952511-74-9 ]
Reference: [1] Patent: WO2012/83170, 2012, A1,
  • 4
  • [ 55289-35-5 ]
  • [ 952511-74-9 ]
Reference: [1] Patent: WO2013/26914, 2013, A1,
  • 5
  • [ 64-18-6 ]
  • [ 952511-74-9 ]
  • [ 952511-48-7 ]
YieldReaction ConditionsOperation in experiment
98% at 60℃; for 12 h; 3: A mixture of 156 (28 g,140 mmol), formic acid (240 mL) and 37percent> concentrated HC1 (400 mL) was heated to 60 °C for 12 h, cooled in an ice-water bath, and the pH slowly adjusted to 8-9 with 28percent> concentrated NH4OH. The solid was collected by filtration, washed with water and dried in air to afford 25 g (98percent) of 5-bromo-4-methyl-lH-benzo[d]imidazole (158) as a yellow solid: MS (ESI) m/z = 213 [M+l]+.
Reference: [1] Patent: WO2013/26914, 2013, A1, . Location in patent: Page/Page column 143
[2] Patent: US2010/222345, 2010, A1, . Location in patent: Page/Page column 87
Historical Records

Related Functional Groups of
[ 952511-74-9 ]

Bromides

Chemical Structure| 55289-36-6

[ 55289-36-6 ]

3-Bromo-2-methylaniline

Similarity: 0.93

Chemical Structure| 69383-60-4

[ 69383-60-4 ]

5-Bromo-2,4-dimethylaniline

Similarity: 0.93

Chemical Structure| 53874-26-3

[ 53874-26-3 ]

3-Bromo-2,6-dimethylaniline

Similarity: 0.91

Chemical Structure| 24596-19-8

[ 24596-19-8 ]

4-Bromo-2,6-dimethylaniline

Similarity: 0.86

Chemical Structure| 74586-53-1

[ 74586-53-1 ]

3-Bromo-5-methylaniline

Similarity: 0.86

Amines

Chemical Structure| 55289-36-6

[ 55289-36-6 ]

3-Bromo-2-methylaniline

Similarity: 0.93

Chemical Structure| 69383-60-4

[ 69383-60-4 ]

5-Bromo-2,4-dimethylaniline

Similarity: 0.93

Chemical Structure| 53874-26-3

[ 53874-26-3 ]

3-Bromo-2,6-dimethylaniline

Similarity: 0.91

Chemical Structure| 24596-19-8

[ 24596-19-8 ]

4-Bromo-2,6-dimethylaniline

Similarity: 0.86

Chemical Structure| 74586-53-1

[ 74586-53-1 ]

3-Bromo-5-methylaniline

Similarity: 0.86

Aryls

Chemical Structure| 55289-36-6

[ 55289-36-6 ]

3-Bromo-2-methylaniline

Similarity: 0.93

Chemical Structure| 69383-60-4

[ 69383-60-4 ]

5-Bromo-2,4-dimethylaniline

Similarity: 0.93

Chemical Structure| 53874-26-3

[ 53874-26-3 ]

3-Bromo-2,6-dimethylaniline

Similarity: 0.91

Chemical Structure| 24596-19-8

[ 24596-19-8 ]

4-Bromo-2,6-dimethylaniline

Similarity: 0.86

Chemical Structure| 74586-53-1

[ 74586-53-1 ]

3-Bromo-5-methylaniline

Similarity: 0.86