Home Cart 0 Sign in  

[ CAS No. 453566-15-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 453566-15-9
Chemical Structure| 453566-15-9
Structure of 453566-15-9 * Storage: {[proInfo.prStorage]}

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

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 453566-15-9 ]

Related Doc. of [ 453566-15-9 ]

Alternatived Products of [ 453566-15-9 ]
Product Citations

Product Details of [ 453566-15-9 ]

CAS No. :453566-15-9 MDL No. :MFCD16620379
Formula : C9H6BrNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :DNNTVDNUUQKALF-UHFFFAOYSA-N
M.W : 240.05 Pubchem ID :21942615
Synonyms :

Safety of [ 453566-15-9 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P280-P305+P351+P338-P311 UN#:3439
Hazard Statements:H302+H312-H315-H319-H331-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 453566-15-9 ]

* 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.

  • Upstream synthesis route of [ 453566-15-9 ]
  • Downstream synthetic route of [ 453566-15-9 ]

[ 453566-15-9 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 453566-15-9 ]
  • [ 453566-14-8 ]
YieldReaction ConditionsOperation in experiment
85% With lithium hydroxide monohydrate; water In tetrahydrofuran at 20℃; To methyl 3-bromo-5-carbamoyl-benzoate (2.8 g, 10.8 mmol, 1.0 eq) was added POCI3 (30 mL) and the reaction heated at 100 °C overnight. The POCI3 was removed under reduced pressure, water was added and the aqueous layer extracted with EtOAc. The combined organic extracts were dried (Na2SC>4), filtered and evaporated in vacuo to afford a crude residue which was purified by column chromatography (petroleum ethenEtOAc, 20:1 ) to give methyl 3-bromo-5-cyano-benzoate (2.5 g, 96 percent). This material was dissolved in THF (30 mL) and LiOH.H20 (1.7 g, 41.6 mmol, 1.54 eq) and H20 (10 mL) were added. The mixture was stirred at room temperature overnight. The THF was removed under reduced pressure and the aqueous phase acidified with diluted HC1 and extracted with EtOAc. The combined organic extracts were dried (Na2SC>4), filtered and evaporated in vacuo. The residue obtained was purified by column chromatography (CH2C12: MeOH, 50: 1) to give the title compound as a white solid (2 g, 85 percent).LC-MS: m z 248.0, 249.9 [M+Na1H NMR (400 MHZ, DMSO) δ 13.67 (br s, 1H), 8.40 (s, 1H), 8.24 (s, 1H), 8.24 (s, 1H).
Reference: [1] Patent: WO2013/37705, 2013, A2, . Location in patent: Page/Page column 139
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 453566-15-9 ]

Aryls

Chemical Structure| 714237-95-3

[ 714237-95-3 ]

Methyl 5-bromo-2-cyanobenzoate

Similarity: 1.00

Chemical Structure| 1031927-03-3

[ 1031927-03-3 ]

Methyl 2-bromo-5-cyanobenzoate

Similarity: 0.95

Chemical Structure| 1223434-15-8

[ 1223434-15-8 ]

Methyl 4-bromo-2-cyanobenzoate

Similarity: 0.92

Chemical Structure| 453566-14-8

[ 453566-14-8 ]

3-Bromo-5-cyanobenzoic acid

Similarity: 0.91

Chemical Structure| 362527-61-5

[ 362527-61-5 ]

Ethyl 3-bromo-4-cyanobenzoate

Similarity: 0.90

Bromides

Chemical Structure| 714237-95-3

[ 714237-95-3 ]

Methyl 5-bromo-2-cyanobenzoate

Similarity: 1.00

Chemical Structure| 1031927-03-3

[ 1031927-03-3 ]

Methyl 2-bromo-5-cyanobenzoate

Similarity: 0.95

Chemical Structure| 1223434-15-8

[ 1223434-15-8 ]

Methyl 4-bromo-2-cyanobenzoate

Similarity: 0.92

Chemical Structure| 453566-14-8

[ 453566-14-8 ]

3-Bromo-5-cyanobenzoic acid

Similarity: 0.91

Chemical Structure| 362527-61-5

[ 362527-61-5 ]

Ethyl 3-bromo-4-cyanobenzoate

Similarity: 0.90

Esters

Chemical Structure| 714237-95-3

[ 714237-95-3 ]

Methyl 5-bromo-2-cyanobenzoate

Similarity: 1.00

Chemical Structure| 1031927-03-3

[ 1031927-03-3 ]

Methyl 2-bromo-5-cyanobenzoate

Similarity: 0.95

Chemical Structure| 1223434-15-8

[ 1223434-15-8 ]

Methyl 4-bromo-2-cyanobenzoate

Similarity: 0.92

Chemical Structure| 362527-61-5

[ 362527-61-5 ]

Ethyl 3-bromo-4-cyanobenzoate

Similarity: 0.90

Chemical Structure| 478375-40-5

[ 478375-40-5 ]

Methyl 3-bromo-5-methylbenzoate

Similarity: 0.86

Nitriles

Chemical Structure| 714237-95-3

[ 714237-95-3 ]

Methyl 5-bromo-2-cyanobenzoate

Similarity: 1.00

Chemical Structure| 1031927-03-3

[ 1031927-03-3 ]

Methyl 2-bromo-5-cyanobenzoate

Similarity: 0.95

Chemical Structure| 1223434-15-8

[ 1223434-15-8 ]

Methyl 4-bromo-2-cyanobenzoate

Similarity: 0.92

Chemical Structure| 453566-14-8

[ 453566-14-8 ]

3-Bromo-5-cyanobenzoic acid

Similarity: 0.91

Chemical Structure| 362527-61-5

[ 362527-61-5 ]

Ethyl 3-bromo-4-cyanobenzoate

Similarity: 0.90

; ;