Cannabigerolic acid

Base Information

• Chemical Name: Cannabigerolic acid
• CAS No.: 25555-57-1
• Molecular Formula: C22H32 O4
• Molecular Weight: 360.494
• Hs Code.: 2918290000
• European Community (EC) Number: 950-268-6
• UNII: 80I4ZM847Y
• DSSTox Substance ID: DTXSID401315426
• Nikkaji Number: J19.302J
• Wikipedia: Cannabigerolic_acid
• Wikidata: Q27135612
• Metabolomics Workbench ID: 64907
• ChEMBL ID: CHEMBL463843
• Mol file: 25555-57-1.mol

Synonyms:cannabigerolic acid

Chemical Property of Cannabigerolic acid

Chemical Property:

• Vapor Pressure: 2.62E-12mmHg at 25°C
• Boiling Point: 535.7°C at 760 mmHg
• PKA: 3.42±0.43(Predicted)
• Flash Point: 291.9°C
• PSA: 77.76000
• Density: 1.082g/cm³
• LogP: 5.76390
• Storage Temp.: -70°C
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 360.23005950
• Heavy Atom Count: 26
• Complexity: 490

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cannabigerolic acid solution 1.0?mg/mL in acetonitrile, ampule of 1?mL, certified reference material, Cerilliant? ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=CC(=C(C(=C1C(=O)O)O)CC=C(C)CCC=C(C)C)O
• Isomeric SMILES: CCCCCC1=CC(=C(C(=C1C(=O)O)O)C/C=C(\C)/CCC=C(C)C)O

Technology Process of Cannabigerolic acid

There total 16 articles about Cannabigerolic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentyl-benzene-1,3-diol (25654-31-3,26645-67-0,2808-33-5) + magnesium methyl carbonate (4861-79-4) → CBGA (25555-57-1)

Guidance literature:

In N,N-dimethyl-formamide; at 120 ℃; for 1h;

Reference yield: 90.0%

carbon dioxide (124-38-9,18923-20-1) + 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentyl-benzene-1,3-diol (25654-31-3,26645-67-0,2808-33-5) + magnesium methanolate (109-88-6,16436-83-2,16436-85-4) → CBGA (25555-57-1)

Guidance literature:

In N,N-dimethyl-formamide; at 50 ℃; for 3h; Sealed tube;

Reference yield: 68.0%

(E)-8-(3,7-dimethylocta-2,6-dien-1-yl)-7-hydroxy-2,2-dimethyl-5-pentyl-4H-benzo[d][1,3]dioxin-4-one → CBGA (25555-57-1)

Guidance literature:

With potassium tert-butylate; water; In diethyl ether; for 72h;

upstream raw materials:

2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentyl-benzene-1,3-diol

magnesium methyl carbonate

carbon dioxide

Geraniol

Downstream raw materials:

cannabidiolic acid

2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentyl-benzene-1,3-diol

Δ⁹-tetrahydrocannabinolic acid

Refernces

• 1、 -. "CANNABINOID ACID ESTER COMPOSITIONS AND USES THEREOF". Paragraph 00416. . Retrieved 2021/02/26.
• 2、 -. "CANNABINOID DERIVATIVES". Paragraph 0130; 0131. . Retrieved 2021/06/22.