Methyl 3-chloro-2,2-dimethylbut-3-enoate

Name: Methyl 3-chloro-2,2-dimethylbut-3-enoate
Brand: ChemScene
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CAS No. 56663-74-2
Cat. No. CS-M0096
Purity≥95%
MDL No.MFCD03093339

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Methyl 3-chloro-2,2-dimethylbut-3-enoate|CS-M0096

Structure of 56663-74-2

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General Information

CAS No. 56663-74-2
Cat. No. CS-M0096
Purity ≥95%
MDL No. MFCD03093339
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₁₁ClO₂
Molecular Weight 162.61
Synonym(s) Methyl 2,2-dimethyl-3-chloro-3-butenoate
SMILES O=C(OC)C(C)(C)C(Cl)=C

Synthesis

Route1
- In-stock
  
  38923-57-8
- ~80%
- 56663-74-2
References
- VERTEX PHARMACEUTICALS INCORPORATED; RUAH, Sara, Hadida, S.; GROOTENHUIS, Peter, D., J.; VAN GOOR, Fredrick; MILLER, Mark, T.; MCCARTNEY, Jason; ZHOU, Jinglan; BEAR, Brian; NUMA, Mehdi, Michel, Djamel Patent: WO2010/53471 A1, 2010 ; Location in patent: Page/Page column 58-59 ;
Route2
- In-stock
  
  105-45-3
- ~%
- 56663-74-2
References
- Vertex Pharmaceuticals Incorported Patent: US2011/98311 A1, 2011 ;

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 26.3
LogP 1.9381
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Olefins

Building Blocks Functional Group Ester

Building Blocks Skeleton Fatty chain compounds

Key Words

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Methyl 3-chloro-2,2-dimethylbut-3-enoate

CAS No. 56663-74-2

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