19-Iodo-3-methyl-18-nonadecenoic acid

Base Information

Chemical Name:19-Iodo-3-methyl-18-nonadecenoic acid
CAS No.:95998-63-3
Molecular Formula:C₂₀H₃₇IO₂
Molecular Weight:436.417
Hs Code.:2916190090
ChEMBL ID:CHEMBL424201
Mol file:95998-63-3.mol

Synonyms:19-BMIVN;19-iodo-3-methyl-18-nonadecenoic acid;19-iodo-3-methyl-18-nonadecenoic acid, (E)-(+-)-isomer, 123I-labeled;19-iodo-3-methyl-18-nonadecenoic acid, (E)-(+-)-isomer, 125I-labeled

Suppliers and Price of 19-Iodo-3-methyl-18-nonadecenoic acid

Supply Marketing:

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

Total 3 raw suppliers

Chemical Property of 19-Iodo-3-methyl-18-nonadecenoic acid

Chemical Property:

Vapor Pressure:1.63E-10mmHg at 25°C
Boiling Point:479.5°Cat760mmHg
Flash Point:243.8°C
PSA：37.30000
Density:1.192g/cm³
LogP:7.50730
XLogP3:9.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:17
Exact Mass:436.18383
Heavy Atom Count:23
Complexity:289

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCCCCCCCCCCCCCC=CI)CC(=O)O
Isomeric SMILES:CC(CCCCCCCCCCCCCC/C=C/I)CC(=O)O

Technology Process of 19-Iodo-3-methyl-18-nonadecenoic acid

There total 14 articles about 19-Iodo-3-methyl-18-nonadecenoic 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: 91.0%

: 95978-48-6
methyl (E)-19-iodo-3(RS)-methyl-18-nonadecenoate

: 95998-63-3
(E)-19-iodo-3(RS)-methyl-18-nonadecenoic acid

Guidance literature:: With sodium hydroxide; In ethanol; for 1h; Heating;
DOI:10.1021/jm00383a020

Reference yield:

: 95978-37-3
3-methyl-5-[2]thienyl-valeric acid

: 95998-63-3
(E)-19-iodo-3(RS)-methyl-18-nonadecenoic acid

Guidance literature:: Multi-step reaction with 9 steps

1: 63 percent / diethyl ether / 12 h / 0 - 5 °C

2: 66 percent / SnCl₄ / CH₂Cl₂ / 3 h / 0 - 20 °C

3: 84 percent / KOH, 85percent hydrazine hydrate / various solvent(s) / 4 h / Heating

4: 1.) 10percent aq. Na₂CO₃, 2.) H₂ / 2.) 10percent Pd/C / 1.) EtOH, reflux, 18 h, 2.) EtOH, 40 psi, 18 h

5: 87 percent / NaI, chlorotrimethylsilane / acetonitrile / 18 h / Heating

6: 73 percent / hexamethylphosphoric acid triamide / 0.5 h / 0 °C

7: 80 percent / diethyl ether / 12 h / 0 - 5 °C

8: 1.) (n-Bu)3SnH, azobisbutyronitrile, 2.) iodine monochloride / 1.) toluene, reflux, 6 h, 2.) CCl₄

9: 91 percent / 1 N aq. NaOH / ethanol / 1 h / Heating

With potassium hydroxide; sodium hydroxide; chloro-trimethyl-silane; 2,2-azobisbutyronitrile; hydrogen; tri-n-butyl-tin hydride; Iodine monochloride; tin(IV) chloride; sodium carbonate; hydrazine hydrate; sodium iodide; palladium on activated charcoal; In N,N,N,N,N,N-hexamethylphosphoric triamide; diethyl ether; ethanol; dichloromethane; acetonitrile;
DOI:10.1021/jm00383a020

Reference yield:

: 14811-96-2
3-methyl-5-thiophen-2-yl-pentanoic acid methyl ester

: 95998-63-3
(E)-19-iodo-3(RS)-methyl-18-nonadecenoic acid

Guidance literature:: Multi-step reaction with 8 steps

1: 66 percent / SnCl₄ / CH₂Cl₂ / 3 h / 0 - 20 °C

2: 84 percent / KOH, 85percent hydrazine hydrate / various solvent(s) / 4 h / Heating

3: 1.) 10percent aq. Na₂CO₃, 2.) H₂ / 2.) 10percent Pd/C / 1.) EtOH, reflux, 18 h, 2.) EtOH, 40 psi, 18 h

4: 87 percent / NaI, chlorotrimethylsilane / acetonitrile / 18 h / Heating

5: 73 percent / hexamethylphosphoric acid triamide / 0.5 h / 0 °C

6: 80 percent / diethyl ether / 12 h / 0 - 5 °C

7: 1.) (n-Bu)3SnH, azobisbutyronitrile, 2.) iodine monochloride / 1.) toluene, reflux, 6 h, 2.) CCl₄

8: 91 percent / 1 N aq. NaOH / ethanol / 1 h / Heating

With potassium hydroxide; sodium hydroxide; chloro-trimethyl-silane; 2,2-azobisbutyronitrile; hydrogen; tri-n-butyl-tin hydride; Iodine monochloride; tin(IV) chloride; sodium carbonate; hydrazine hydrate; sodium iodide; palladium on activated charcoal; In N,N,N,N,N,N-hexamethylphosphoric triamide; diethyl ether; ethanol; dichloromethane; acetonitrile;
DOI:10.1021/jm00383a020