Cas no 143225-26-7 (Butanedioic acid,methyl-, 4-(phenylmethyl) ester, (2S)- (9CI))
143225-26-7 structure
Product Name:Butanedioic acid,methyl-, 4-(phenylmethyl) ester, (2S)- (9CI)
CAS No:143225-26-7
MF:C12H14O4
MW:222.237164020538
CID:108239
PubChem ID:22874424
Update Time:2025-04-18
Butanedioic acid,methyl-, 4-(phenylmethyl) ester, (2S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,methyl-, 4-(phenylmethyl) ester, (2S)- (9CI)
- Butanedioic acid, methyl-, 4-(phenylmethyl) ester, (2S)- (9CI)
- Butanedioic acid,methyl-,4-(phenylmethyl)ester,(2S)-(9ci)
- 143225-26-7
- (2S)-2-methyl-4-oxo-4-phenylmethoxybutanoic acid
- SCHEMBL4896293
- (S)-4-(Benzyloxy)-2-methyl-4-oxobutanoic acid
-
- Inchi： 1S/C12H14O4/c1-9(12(14)15)7-11(13)16-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,15)/t9-/m0/s1
- InChI Key： VCTNZSZUTRPODK-VIFPVBQESA-N
- SMILES： O(CC1C=CC=CC=1)C(C[C@@H](C(=O)O)C)=O
Computed Properties
- Exact Mass: 221.08139
- Monoisotopic Mass: 222.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 243
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.6A^2
- XLogP3: 1.6
Experimental Properties
- PSA: 66.43
Butanedioic acid,methyl-, 4-(phenylmethyl) ester, (2S)- (9CI) Related Literature
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
143225-26-7 (Butanedioic acid,methyl-, 4-(phenylmethyl) ester, (2S)- (9CI)) Related Products
- 59698-18-9(benzyl 2-cyclopropylacetate)
- 58394-64-2(Benzyl 2-Ethylhexyl Adipate)
- 34388-29-9(Methothrin)
- 103-38-8(Benzyl isovalerate FCC)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
Recommended suppliers
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
