Cas no 2094-69-1 (Propanoic acid,2,2-dimethyl-, phenylmethyl ester)
2094-69-1 structure
Product Name:Propanoic acid,2,2-dimethyl-, phenylmethyl ester
CAS No:2094-69-1
MF:C12H16O2
MW:192.254243850708
CID:262975
Update Time:2026-05-14
Propanoic acid,2,2-dimethyl-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2,2-dimethyl-, phenylmethyl ester
- benzyl 2,2-dimethylpropanoate
- AI3-20487
- Benzyl pivalate
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- Inchi： 1S/C12H16O2/c1-12(2,3)11(13)14-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
- InChI Key： QCFKLVCBTZKWGY-UHFFFAOYSA-N
- SMILES： CC(C)(C)C(=O)OCC1=CC=CC=C1
Computed Properties
- Exact Mass: 192.11508
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
Experimental Properties
- PSA: 26.3
Propanoic acid,2,2-dimethyl-, phenylmethyl ester Related Literature
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1. Nickel-catalyzed α-benzylation of sulfones with esters via C–O activationJing Xiao,Jia Yang,Tieqiao Chen,Li-Biao Han RSC Adv. 2016 6 42656
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2. The Darbeau–White–Gibble reaction: an N-nitrosoamide-mediated Ritter-type reaction. Part I. A study of electronic, steric, and orbital effects in the nucleophile?1aRon W. Darbeau,Rebekah E. Gibble,Rebecca S. Pease,Davin E. Bridges,Luis M. Siso,Derrill J. Heurtin . Ron W. Darbeau Rebekah E. Gibble Rebecca S. Pease Davin E. Bridges Luis M. Siso Derrill J. Heurtin J. Chem. Soc. Perkin Trans. 2 2001 1084
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Jing Xiao,Jia Yang,Tieqiao Chen,Li-Biao Han Chem. Commun. 2016 52 2157
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Lucy Ping,Da Sol Chung,Jean Bouffard,Sang-gi Lee Chem. Soc. Rev. 2017 46 4299
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5. N-Nitrosamide-mediated Ritter-type reactions. Part II. The operation of “persistent steric” and “π*-acceptor agostic-type” effectsRon W. Darbeau,Rebecca S. Pease,Edson V. Perez,Rebekah E. Gibble,Faith A. Ayo,Aaron W. Sweeney J. Chem. Soc. Perkin Trans. 2 2002 2146
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