Lot numbers can be found on the outside label of a product:
Ethyl 3-hydroxy-3-phenylpropanoate
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CAS No. 5764-85-2
- Cat. No. CS-0151615
- Purity≥97%
- MDL No.MFCD00086891
*For research and further manufacturing use only, not for direct human use.
Structure of 5764-85-2
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General Information
- CAS No. 5764-85-2
- Cat. No. CS-0151615
- Purity ≥97%
- MDL No. MFCD00086891
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₁₄O₃
- Molecular Weight 194.23
- Synonym(s) Hydracrylic acid, 3-phenyl-, ethyl ester
- SMILES CCOC(=O)CC(C1=CC=CC=C1)O
Description
Ethyl 3-hydroxy-3-phenylpropanoate features a benzylic hydroxyl group flanked by a phenyl ring and ester functionality, enabling direct functionalization at the tertiary alcohol site. This structural motif supports efficient derivatization in synthetic routes to bioactive molecules and chiral building blocks.
Application
Ethyl 3-hydroxy-3-phenylpropanoate serves as a versatile building block in synthetic organic chemistry, enabling the construction of chiral benzylated scaffolds. The molecule features a tertiary alcohol adjacent to an ester, allowing for controlled functionalization via oxidation, protection, or substitution. Its bench-stable nature and compatibility with standard reaction conditions facilitate use in multi-step syntheses, particularly for medicinal chemistry intermediates and heterocyclic frameworks.
Synthesis
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Route1
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In-stock
94-02-0 - ~10%
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In-stock
5764-85-2
References
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Boaz, Neil W. Journal of Organic Chemistry, 1992 , vol. 57, # 15 p. 4289 - 4292
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Route2
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In-stock
4071-88-9 -
100-52-7 - ~73%
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In-stock
5764-85-2
References
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Zou, Xiao-Lei; Du, Guang-Fen; Sun, Wan-Fu; He, Lin; Ma, Xiao-Wei; Gu, Cheng-Zhi; Dai, Bin Tetrahedron, 2013 , vol. 69, # 2 p. 607 - 612
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Route3
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42201-84-3
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100-52-7
- ~92%
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In-stock
5764-85-2
References
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An, De Lie; Peng, Zhihong; Orita, Akihiro; Kurita, Akinobu; Man-E, Sumiyo; Ohkubo, Kei; Li, Xingshu; Fukuzumi, Shunichi; Otera, Junzo Chemistry - A European Journal, 2006 , vol. 12, # 6 p. 1642 - 1647
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302
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Precautionary Statements : P264-P270-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 46.53
- LogP 1.6732
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 4
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Key Words
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