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CS-W001157 4
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Methyl 6-chloro-6-oxohexanoate

  • CAS No. 35444-44-1

  • Cat. No. CS-0697615
  • Purity≥95%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

Methyl 6-chloro-6-oxohexanoate|CS-0697615

Structure of 35444-44-1

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General Information

  • CAS No. 35444-44-1
  • Cat. No. CS-0697615
  • Purity ≥95%
  • MDL No. None
  • Storage RT, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₁ClO₃
  • Molecular Weight 178.61
  • Synonym(s) None
  • SMILES O=C(Cl)CCCCC(=O)OC

Description

Methyl 6-chloro-6-oxohexanoate features a chlorinated β-keto ester motif enabling direct functionalization at the α-position. The molecule combines electrophilic reactivity with enhanced stability under standard bench conditions, facilitating efficient carbon–carbon bond formation in synthetic sequences. This compound integrates readily into complex molecular architectures requiring selective ketone and ester handles.

Application

Methyl 6-chloro-6-oxohexanoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized carbocycles and heterocycles. Its α,β-unsaturated γ-keto ester motif facilitates Michael additions, aldol reactions, and cyclizations under mild conditions. The chloro group provides a handle for nucleophilic substitution, while the ester moiety supports selective reduction or hydrolysis. Bench-stable and readily purified by distillation or chromatography, it functions reliably in multi-step syntheses of pharmaceutical intermediates and natural product analogs.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   N/A
  • LogP   N/A
  • H_Acceptors   N/A
  • H_Donors   N/A
  • Rotatable_Bonds   N/A

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