Home Cart Sign in  
Chemical Structure| 90561-76-5 Chemical Structure| 90561-76-5

Structure of 90561-76-5

Chemical Structure| 90561-76-5

*Storage: {[sel_prStorage]}

*Shipping: {[sel_prShipping]}

,{[proInfo.pro_purity]}

4.5 *For Research Use Only !

{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]} Purity: {[proInfo.pro_purity]}

Change View

Size Price VIP Price

US Stock

Global Stock

In Stock
{[ item.pr_size ]} Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}

US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days

  • {[ item.pr_size ]}

In Stock

- +

Please Login or Create an Account to: See VIP prices and availability

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

  • 1-2 Day Shipping
  • High Quality
  • Technical Support
Product Citations

Alternative Products

Product Details of [ 90561-76-5 ]

CAS No. :90561-76-5
Formula : C9H10BrNO
M.W : 228.09
SMILES Code : CC(NCC1=CC=C(Br)C=C1)=O
MDL No. :MFCD14659390
InChI Key :HBBBWKUVJSIFKV-UHFFFAOYSA-N
Pubchem ID :15640188

Safety of [ 90561-76-5 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 90561-76-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 90561-76-5 ]

[ 90561-76-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 90561-76-5 ]
  • [ 163520-14-7 ]
  • [ 769966-70-3 ]
YieldReaction ConditionsOperation in experiment
65% With potassium carbonate;palladium diacetate; triphenylphosphine; In 1,2-dimethoxyethane; water; ethyl acetate;Heating / reflux; To a nitrogen-flushed solution OF PD (OAC) 2 (17.5 mg, 0. 078 mmol) in DME (2 mL), was added triphenylphosphine (82 mg, 0.312 mmol). The solution was flushed with nitrogen again and stirred under a N2 atmosphere for 30 minutes. The brownish suspension was transferred to a nitrogen-flushed mixture of 5-ISO-BUTYL-2- (N-TERT-BUTYLAMINOSULFONYL) thiophene-3-boronic acid (0.50 g, 1.56 mmol, see Preparation A, step (c)), N-(4- bromobenzyl) acetamide (0.71 g, 3.12 mmol, prepared form 4- BROMOBENZYLAMINE and acetyl chloride), and potassium carbonate (0. 86 g, 6.24 mmol) in DME: H20 : EtOH (3.5 : 1.5 : 1 mL). The mixture was refluxed overnight under a N2 atmosphere, washed with aqueous NAOH solution (1M), water and brine, dried over anhydrous MGS04 and concentrated to afford the residue which was purified by circular chromatography (50% acetone in pet. ether) to afford pure sub-title product as a colourless solid (0.43 g, 65%). mp 171-172oC H NMR (270 MHz, CDC13) : 8 0.97 (d, 6H, J= 6.60 Hz), 1.0 (s, 9H), 1.91 (M, 1H), 2.07 (s, 3H), 2.67 (d, 2H, J = 6. 93 HZ), 4.47 (d, 2H, J = 5. 61 Hz), 6.20 (br s, 1H), 6.73 (s, 1H), 7.37 (d, 2H, J = 7.92 Hz), 7.53 (d, 2H, J = 7.92 Hz) 13C NMR (67.5 MHz, CDCl3) : 6 22.13, 23.21, 29. 48, 30.50, 39. 169 43. 28, 54. 51, 127. 76, 128. 94, 129.25, 133. 88, 136. 11, 138.61, 143.14, 148. 53, 170. 18 IR (neat, cm-1): v 3314,2963, 1650,1535, 1432, 1308, 1136,1049, 1009, 844 MS (ESI+) : INLZ at 423.1 (MI++1) Anal. Calcd for C2LH30N203S2 : C, 58. 44; H, 7.24 ; N, 6.49 ; Found: C, 58.1 ; H, 7.0 ; N, 6.5
 

Historical Records

Technical Information

Categories

Related Functional Groups of
[ 90561-76-5 ]

Aryls

Chemical Structure| 337535-82-7

A635653 [337535-82-7]

N-(3-Bromobenzyl)acetamide

Similarity: 0.97

Chemical Structure| 80311-89-3

A372178 [80311-89-3]

N-Benzyl-4-bromobenzamide

Similarity: 0.90

Chemical Structure| 1249577-42-1

A621465 [1249577-42-1]

2-Amino-N-(4-bromobenzyl)acetamide

Similarity: 0.90

Chemical Structure| 74315-07-4

A513903 [74315-07-4]

N-(2-Bromobenzyl)acetamide

Similarity: 0.90

Chemical Structure| 41882-25-1

A371150 [41882-25-1]

4-Bromo-N-ethylbenzamide

Similarity: 0.90

Bromides

Chemical Structure| 337535-82-7

A635653 [337535-82-7]

N-(3-Bromobenzyl)acetamide

Similarity: 0.97

Chemical Structure| 80311-89-3

A372178 [80311-89-3]

N-Benzyl-4-bromobenzamide

Similarity: 0.90

Chemical Structure| 1249577-42-1

A621465 [1249577-42-1]

2-Amino-N-(4-bromobenzyl)acetamide

Similarity: 0.90

Chemical Structure| 74315-07-4

A513903 [74315-07-4]

N-(2-Bromobenzyl)acetamide

Similarity: 0.90

Chemical Structure| 41882-25-1

A371150 [41882-25-1]

4-Bromo-N-ethylbenzamide

Similarity: 0.90

Amides

Chemical Structure| 337535-82-7

A635653 [337535-82-7]

N-(3-Bromobenzyl)acetamide

Similarity: 0.97

Chemical Structure| 80311-89-3

A372178 [80311-89-3]

N-Benzyl-4-bromobenzamide

Similarity: 0.90

Chemical Structure| 1249577-42-1

A621465 [1249577-42-1]

2-Amino-N-(4-bromobenzyl)acetamide

Similarity: 0.90

Chemical Structure| 74315-07-4

A513903 [74315-07-4]

N-(2-Bromobenzyl)acetamide

Similarity: 0.90

Chemical Structure| 41882-25-1

A371150 [41882-25-1]

4-Bromo-N-ethylbenzamide

Similarity: 0.90

Amines

Chemical Structure| 337535-82-7

A635653 [337535-82-7]

N-(3-Bromobenzyl)acetamide

Similarity: 0.97

Chemical Structure| 80311-89-3

A372178 [80311-89-3]

N-Benzyl-4-bromobenzamide

Similarity: 0.90

Chemical Structure| 1249577-42-1

A621465 [1249577-42-1]

2-Amino-N-(4-bromobenzyl)acetamide

Similarity: 0.90

Chemical Structure| 74315-07-4

A513903 [74315-07-4]

N-(2-Bromobenzyl)acetamide

Similarity: 0.90

Chemical Structure| 41882-25-1

A371150 [41882-25-1]

4-Bromo-N-ethylbenzamide

Similarity: 0.90