Cas no 64577-25-9 (HYDROCINNAMIC ACID(1-13C, 99%))

HYDROCINNAMIC ACID(1-13C, 99%) structure
64577-25-9 structure
Product Name:HYDROCINNAMIC ACID(1-13C, 99%)
CAS No:64577-25-9
MF:C9H10O2
MW:151.167157649994
CID:5466703
Update Time:2023-08-22

HYDROCINNAMIC ACID(1-13C, 99%) Chemical and Physical Properties

Names and Identifiers

    • HYDROCINNAMIC ACID(1-13C, 99%)
    • 3-Phenylpropanoic-1-13C acid
    • Inchi: 1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)/i9+1
    • InChI Key: XMIIGOLPHOKFCH-QBZHADDCSA-N
    • SMILES: C1=CC(CC[13C](=O)O)=CC=C1

HYDROCINNAMIC ACID(1-13C, 99%) Production Method

Production Method 1

Reaction Conditions
1.1R:18-Crown-6, S:DMF, 48 h, 135°C, 1 atm
1.2R:HCl, S:H2O, acidify
Reference
Direct reversible decarboxylation from stable organic acids in dimethylformamide solution
By Kong, Duanyang et al, Science (Washington, 2020, 369(6503), 557-561

Production Method 2

Reaction Conditions
1.1S:Et2O, rt → 0°C; 1 h, 0°C → rt
Reference
Fragment Couplings via CO2 Extrusion-Recombination: Expansion of a Classic Bond-Forming Strategy via Metallaphotoredox
By Le, Chi "Chip" and MacMillan, David W. C., Journal of the American Chemical Society, 2015, 137(37), 11938-11941

Production Method 3

Reaction Conditions
1.1S:DMSO
1.2R:NaOH, S:H2O
1.3R:HCl
Reference
Synthesis and acidity constants of 13CO2H-labeled mono and dipyrrole carboxylic acids. pKa from 13C-NMR
By Holmes, Darren L. and Lightner, David A., Tetrahedron, 1995, 51(6), 1607-22

Production Method 4

Reaction Conditions
1.1R:KOH, S:H2O
Reference
Organic photochemistry. 91. Photoinduced methyl migrations of methylindenes in the gas phase
By Duguid, Robert J. and Morrison, Harry, Journal of the American Chemical Society, 1991, 113(9), 3519-25

Production Method 5

Reaction Conditions
1.1R:NaOBu-t, R:t-BuOH, R:S:NMP, 24 h, 25°C, 1 atm
Reference
Visible-light-driven anti-Markovnikov hydrocarboxylation of acrylates and styrenes with CO2
By Huang, He et al, CCS Chemistry, 2021, 3(6), 1746-1756

Production Method 6

Reaction Conditions
1.1R:18-Crown-6, S:DMF, 48 h, 135°C, 1 atm
1.2R:HCl, S:H2O, acidify
Reference
Direct reversible decarboxylation from stable organic acids in solution
By Kong, Duanyang et al, ChemRxiv, 2020, From ChemRxiv, 1-11

Production Method 7

Reaction Conditions
1.1C:(o-MeC6H4)3P, C:Pd2(dba)3, S:PhMe
1.2R:4-DMAP, C:12107-56-1, C:131274-22-1, S:NMP, 5 min, 75°C; overnight, 75°C
1.3R:H2O, 2 h, 75°C
Reference
Palladium-Catalyzed Carbon Isotope Exchange on Aliphatic and Benzoic Acid Chlorides
By Gauthier, Donald R. et al, Journal of the American Chemical Society, 2018, 140(46), 15596-15600

Production Method 8

Reaction Conditions
1.1R:Mg, S:Et2O
1.2
1.3R:HCl, S:H2O
Reference
Synthesis of 1-13C-1-indanone and 2-13C-1,2,3,4-tetrahydroquinoline
By Pickering, R. E. et al, Journal of Labelled Compounds and Radiopharmaceuticals, 1985, 22(8), 837-42

HYDROCINNAMIC ACID(1-13C, 99%) Raw materials

HYDROCINNAMIC ACID(1-13C, 99%) Preparation Products

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