Ethyl 2-(4-ethoxy-4-oxobutanamido)benzoate

Name: Ethyl 2-(4-ethoxy-4-oxobutanamido)benzoate
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CAS No. 120572-43-2
Cat. No. CS-W014551
Molecule weight293.32
Purity≥95%
MDL No.MFCD03931427

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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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Ethyl 2-(4-ethoxy-4-oxobutanamido)benzoate|CS-W014551

Structure of 120572-43-2

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General Information

CAS No. 120572-43-2
Cat. No. CS-W014551
Purity ≥95%
MDL No. MFCD03931427
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₁₉NO₅
Molecular Weight 293.32
Synonym(s) ETHYL 2-((4-ETHOXY-4-OXOBUTANOYL)AMINO)BENZOATE
SMILES O=C(C1=CC=CC=C1NC(CCC(OCC)=O)=O)OCC

Synthesis

Route1
- 14794-31-1
- 87-25-2
- ~77%
- 120572-43-2
References
- BIOGEN IDEC MA INC.; CHAO, Jianhua; ENYEDY, Istvan, J.; GUERTIN, Kevin; HUTCHINGS, Richard, H.; JONES, John, Howard; POWELL, Noel; VANVLOTEN, Kurt, D. Patent: WO2014/8214 A1, 2014 ; Location in patent: Paragraph 00319-00320 ;
Route2
- 64-17-5
- 120572-38-5
- ~84%
- 120572-43-2
References
- Balasubramaniyan, V.; Argade, N. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1988 , vol. 27, # 1-12 p. 906 - 908
Route3
- 87-25-2
- ~%
- 120572-43-2
References
- Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, , vol. 27, # 1-12 p. 906 - 908

Safety Information

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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 81.7
LogP 2.1451
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 7

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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Ethyl 2-(4-ethoxy-4-oxobutanamido)benzoate

CAS No. 120572-43-2

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