Jatrophone

Base Information Edit

Chemical Name:Jatrophone
CAS No.:29444-03-9
Molecular Formula:C20H24 O3
Molecular Weight:312.409
Hs Code.:
ChEMBL ID:CHEMBL1968481
DSSTox Substance ID:DTXSID501317287
Nikkaji Number:J17.243J
NSC Number:135037
Wikidata:Q11723337
Mol file:29444-03-9.mol

Synonyms:jatrophone

Suppliers and Price of Jatrophone

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
JATROPHONE 95.00%
5MG
$ 499.80

Total 4 raw suppliers

Chemical Property of Jatrophone Edit

Chemical Property:

Vapor Pressure:1.97E-10mmHg at 25°C
Boiling Point:507.8°Cat760mmHg
Flash Point:223.9°C
PSA：43.37000
Density:1.13g/cm³
LogP:4.06620
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:312.17254462
Heavy Atom Count:23
Complexity:715

Purity/Quality:

99% ^*data from raw suppliers

JATROPHONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC23C(=C1)C=C(C(=O)C=CC(CC(=C(C2=O)C)O3)(C)C)C
Isomeric SMILES:C[C@@H]1C[C@@]23C(=C1)/C=C(\C(=O)/C=C\C(CC(=C(C2=O)C)O3)(C)C)/C

Technology Process of Jatrophone

There total 11 articles about Jatrophone 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: 53.4%

: 201230-82-2
carbon monoxide

: 129873-10-5,129940-30-3
Trifluoro-methanesulfonic acid (Z)-2-[(5R,8S)-2-((E)-2,2-dimethyl-4-tributylstannanyl-but-3-enyl)-3,8-dimethyl-4-oxo-1-oxa-spiro[4.4]nona-2,6-dien-6-yl]-1-methyl-vinyl ester

: 29444-03-9,80657-14-3,119242-82-9,129940-25-6
epi-jatrophone

Guidance literature:: With dichloro bis(acetonitrile) palladium(II); lithium chloride; In N,N-dimethyl-formamide; for 13h; under 2585.7 Torr; Ambient temperature;

Reference yield: 23.7%

: 201230-82-2
carbon monoxide

: 129873-10-5,129940-30-3
Trifluoro-methanesulfonic acid (Z)-2-[(5R,8R)-2-((E)-2,2-dimethyl-4-tributylstannanyl-but-3-enyl)-3,8-dimethyl-4-oxo-1-oxa-spiro[4.4]nona-2,6-dien-6-yl]-1-methyl-vinyl ester

: 29444-03-9,80657-14-3,119242-82-9,129940-25-6
(+/-)-jatrophone

Guidance literature:: With dichloro bis(acetonitrile) palladium(II); lithium chloride; In N,N-dimethyl-formamide; for 13h; under 2585.7 Torr; Ambient temperature;

Reference yield:

: 67099-40-5
3,3-dimethyl-4-pentynoic acid

: 29444-03-9
(+)-jatrophone

Guidance literature:: Multi-step reaction with 9 steps

1: 97 percent / oxalyl chloride / CH₂Cl₂ / Ambient temperature

2: 92 percent / FeCl₃ / CH₂Cl₂ / -20 °C

3: 62.4 percent / NaH / 1,2-dimethoxy-ethane / 1.) from -10 deg C to RT, 15 min, 2.) reflux, 1 h

4: 1.) n-BuLi, 2.) Me₃SnCl, 3.) Pd(PPh₃)4, LiCl

5: 96.1 percent / Bu₄NF / tetrahydrofuran / 0.08 h / 0 °C

6: 98.7 percent / oxalyl chloride, DMSO / CH₂Cl₂ / 0.25 h / -78 °C

7: LiN(TMS)2 / tetrahydrofuran / 5 h / Ambient temperature

8: oxalyl chloride, DMSO / CH₂Cl₂ / 0.25 h / -78 °C

9: 1.) H₂, 2.) KI, acetic acid / 1.) 5percent Pd/BaSO₄ / 1.) pyridine, RT, 8 min, 2.) RT, 30 min

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; n-butyllithium; oxalyl dichloride; trimethyltin(IV)chloride; tetrabutyl ammonium fluoride; hydrogen; iron(III) chloride; sodium hydride; acetic acid; dimethyl sulfoxide; potassium iodide; lithium chloride; lithium hexamethyldisilazane; Pd-BaSO₄; In tetrahydrofuran; 1,2-dimethoxyethane; dichloromethane;