ent-Copalyl diphosphate

Base Information

• Chemical Name: ent-Copalyl diphosphate
• CAS No.: 21738-30-7
• Molecular Formula: C₂₀H₃₆O₇P₂
• Molecular Weight: 450.449
• Metabolomics Workbench ID: 28494
• Nikkaji Number: J748.296E,J1.457.019E
• Wikidata: Q27103531
• Mol file: 21738-30-7.mol

Synonyms:9,10-syn-copalyl diphosphate;9,10-syn-CPP;9betaH-labda-9(17),13-dien-15-ol diphosphate ester;copalyl pyrophosphate

Chemical Property of ent-Copalyl diphosphate

Chemical Property:

• Vapor Pressure: 3.61E-14mmHg at 25°C
• Boiling Point: 563.4°Cat760mmHg
• PKA: 1.04±0.50(Predicted)
• Flash Point: 294.5°C
• PSA: 132.91000
• Density: 1.23g/cm³
• LogP: 5.73800
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 450.19362748
• Heavy Atom Count: 29
• Complexity: 739

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCOP(=O)(O)OP(=O)(O)O)CCC1C(=C)CCC2C1(CCCC2(C)C)C
• Isomeric SMILES: C/C(=C\COP(=O)(O)OP(=O)(O)O)/CC[C@@H]1C(=C)CC[C@H]2[C@]1(CCCC2(C)C)C

Technology Process of ent-Copalyl diphosphate

There total 2 articles about ent-Copalyl diphosphate 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:

ent-copalyl chloride → ent-copalyl diphosphate (21738-30-7)

Guidance literature:

With 4 A molecular sieve; In acetonitrile; at 20 ℃; for 12h;

DOI:10.1016/j.phytochem.2006.10.016

Reference yield:

(E,E,E)-geranylgeranyl diphosphate (6699-20-3,13100-78-2,64732-91-8) → ent-copalyl diphosphate (21738-30-7)

Guidance literature:

With ethylenediaminetetraacetic acid; DL-dithiothreitol; magnesium chloride; GST-Gcps; In hydrogenchloride; at 30 ℃; for 1h; pH=8.0; Product distribution;

DOI:10.1271/bbb.64.660

upstream raw materials:

(E,E,E)-geranylgeranyl diphosphate