- Multiplexing of Combinatorial Chemistry in Antimycin Biosynthesis: Expansion of Molecular Diversity and UtilityBy Yan, Yan et al, Angewandte Chemie, 2013, 52(47), 12308-12312
Cas no 1527491-97-9 (Coenzyme A, S-[hydrogen 2-(phenylmethyl)propanedioate])
![Coenzyme A, S-[hydrogen 2-(phenylmethyl)propanedioate] structure](https://ossimg.kuujia.com/scimg/1527500/1527491-97-9x500.png)
1527491-97-9 structure
Product Name:Coenzyme A, S-[hydrogen 2-(phenylmethyl)propanedioate]
CAS No:1527491-97-9
MF:C31H44N7O19P3S
MW:943.702849388123
CID:5599890
Update Time:2023-09-01
Coenzyme A, S-[hydrogen 2-(phenylmethyl)propanedioate] Chemical and Physical Properties
Names and Identifiers
-
- Benzyl malonyl coenzyme A
- Coenzyme A, S-[hydrogen 2-(phenylmethyl)propanedioate]
-
- Inchi： 1S/C31H44N7O19P3S/c1-31(2,24(41)27(42)34-9-8-20(39)33-10-11-61-30(45)18(29(43)44)12-17-6-4-3-5-7-17)14-54-60(51,52)57-59(49,50)53-13-19-23(56-58(46,47)48)22(40)28(55-19)38-16-37-21-25(32)35-15-36-26(21)38/h3-7,15-16,18-19,22-24,28,40-41H,8-14H2,1-2H3,(H,33,39)(H,34,42)(H,43,44)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/t18?,19-,22-,23-,24+,28-/m1/s1
- InChI Key： DRQIVITWDNJGHP-LNSOOWQSSA-N
- SMILES： O[C@@H]1[C@@H]([C@@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O)O)CC2C=CC=CC=2)O[C@H]1N1C=NC2=C(N=CN=C12)N)OP(O)(O)=O
Coenzyme A, S-[hydrogen 2-(phenylmethyl)propanedioate] Production Method
Production Method 1
Reaction Conditions
1.1R:SOCl2, S:CH2Cl2, overnight, reflux; reflux → rt
1.2S:CH2Cl2, overnight, rt
1.3R:Et3N, S:CH2Cl2, rt
2.1S:H2O, S:THF, overnight, rt, pH 8.5
3.1R:NaHCO3, C:Coenzyme II, reduced, S:H2O, 0.5 h, 30°C, pH 7
3.2R:Cl3CCO2H, S:H2O
1.2S:CH2Cl2, overnight, rt
1.3R:Et3N, S:CH2Cl2, rt
2.1S:H2O, S:THF, overnight, rt, pH 8.5
3.1R:NaHCO3, C:Coenzyme II, reduced, S:H2O, 0.5 h, 30°C, pH 7
3.2R:Cl3CCO2H, S:H2O
Reference
Coenzyme A, S-[hydrogen 2-(phenylmethyl)propanedioate] Raw materials
Coenzyme A, S-[hydrogen 2-(phenylmethyl)propanedioate] Preparation Products
Coenzyme A, S-[hydrogen 2-(phenylmethyl)propanedioate] Related Literature
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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