Prenyl formate

Base Information

• Chemical Name: Prenyl formate
• CAS No.: 68480-28-4
• Molecular Formula: C6H10 O2
• Molecular Weight: 114.144
• European Community (EC) Number: 270-906-0
• UNII: 77XFK1MOL6
• DSSTox Substance ID: DTXSID70867647
• Nikkaji Number: J326.652D
• Wikidata: Q27266612
• Metabolomics Workbench ID: 45562
• Mol file: 68480-28-4.mol

Synonyms:Prenyl formate;3-methylbut-2-enyl formate;68480-28-4;2-Buten-1-ol, 3-methyl-, formate;3-Methyl-2-butenyl formate;2-Buten-1-ol, 3-methyl-, 1-formate;UNII-77XFK1MOL6;77XFK1MOL6;EINECS 270-906-0;Formic acid, 3-methyl-2-butenyl ester;Prenylformiat;3-methylbut-2-en-1-yl formate;3-methylbut-2-enyl ormate;3-methyl but-2-enyl formate;PRENYL FORMATE [FHFI];3-Methyl-2-butenyl formate #;SCHEMBL1318635;FEMA NO. 4205;DTXSID70867647;CHEBI:173391;MFCD00036614;2-Buten-1-ol,3-methyl-,1-formate;AKOS006229030;Formic acid 3-methyl-2-butenyl ester;3-methylbut-2-enyl formate, AldrichCPR;FT-0616143;Q27266612;4-Methyl-2-pyrrolidin-1-ylmethyl-piperazine-1-carboxylicacidbenzylester

Chemical Property of Prenyl formate

Chemical Property:

• Vapor Pressure: 6.37mmHg at 25°C
• Refractive Index: 1.421
• Boiling Point: 139.6°Cat760mmHg
• Flash Point: 41.4°C
• PSA: 26.30000
• Density: 0.915g/cm³
• LogP: 1.76150
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 114.068079557
• Heavy Atom Count: 8
• Complexity: 90.7

Purity/Quality:

99% ^*data from raw suppliers

3-METHYLBUT-2-ENYL FORMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCOC=O)C

Technology Process of Prenyl formate

There total 8 articles about Prenyl formate 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: 95.8%

formic acid (64-18-6) + 3-methyl-2-buten-1-ol (556-82-1) → formiate de methyl-3 butene-2 ol-1 (68480-28-4)

Guidance literature:

at 40 ℃; for 3h;

Reference yield: 81.0%

formic acid (64-18-6) + 2-methyl-3-buten-2-ol (115-18-4) → formiate de methyl-3 butene-2 ol-1 (68480-28-4)

Guidance literature:

for 0.05h; Ambient temperature;

Reference yield: 6.8%

2-methyl-3-buten-2-ol (115-18-4) + (S)-p-mentha-6,8-dien-2-one (2244-16-8,6485-40-1) → formiate de methyl-3 butene-2 ol-1 (68480-28-4) + hydroxydihydrolavandulol (95603-65-9,132311-99-0) + (S)-5-(1-Hydroxy-1,5-dimethyl-hex-4-enyl)-2-methyl-cyclohex-2-enone (35346-20-4,59285-95-9,76738-74-4)

Guidance literature:

With formic acid; hydrogen cation; Yield given. Multistep reaction; 1.) CH₂Cl₂, 20 min, 2.) MeOH, 2 h, 25 deg C;

DOI:10.1016/S0040-4039(00)77825-7

upstream raw materials:

formic acid

sodium formate

3,3-dimethyl-allyl chloride

3-methyl-2-buten-1-ol

Downstream raw materials:

3,3-dimethylallyl 2-phenylvinyl ether

3,3-dimethyl-2-phenyl-pent-4-enal

3-methyl-2-buten-1-ol

[(1E,3E)-4-(3-Methyl-but-2-enyloxy)-buta-1,3-dienyl]-benzene