Ethyl allyl(2,2-dimethoxyethyl)carbamate

Base Information

• Chemical Name: Ethyl allyl(2,2-dimethoxyethyl)carbamate
• CAS No.: 128740-02-3
• Molecular Formula: C₁₀H₁₉NO₄
• Molecular Weight: 217.265
• Hs Code.: 2924199090
• European Community (EC) Number: 603-297-0
• Mol file: 128740-02-3.mol

Synonyms:128740-02-3;Ethyl allyl(2,2-dimethoxyethyl)carbamate;ethyl N-(2,2-dimethoxyethyl)-N-prop-2-enylcarbamate;ETHYL ALLYL2,2-DIMETHOXYETHYLCARBAMATE;MFCD09953120;ETHYL N-(2,2-DIMETHOXYETHYL)-N-(PROP-2-EN-1-YL)CARBAMATE;SCHEMBL8741042;SXIOXBYMPVICFV-UHFFFAOYSA-N;Carbamic acid, (2,2-dimethoxyethyl)-2-propenyl-, ethyl ester;SS-5330;Ethylallyl(2,2-dimethoxyethyl)carbamate;SY040134;ethyl N-allyl-N-(2,2-dimethoxyethyl)carbamate;Ethyl N-allyl-N-(2,2-dimethoxyethyl)-carbamate;ethyl N-allyl-N-(2,2-dimethoxyethyl) -carbamate;6-Hydroxy-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine-7-sulfonamide 1,1-dioxide

Chemical Property of Ethyl allyl(2,2-dimethoxyethyl)carbamate

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Boiling Point: 270.101oC at 760 mmHg
• Flash Point: 117.153oC
• PSA: 48.00000
• Density: 1.022g/cm3
• LogP: 1.24980
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 217.13140809
• Heavy Atom Count: 15
• Complexity: 192

Purity/Quality:

97% ^*data from raw suppliers

Ethylallyl(2,2-dimethoxyethyl)carbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)N(CC=C)CC(OC)OC

Technology Process of Ethyl allyl(2,2-dimethoxyethyl)carbamate

There total 1 articles about Ethyl allyl(2,2-dimethoxyethyl)carbamate 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: 89.0%

ethyl N-(2,2-dimethoxyethyl)carbamate (71545-60-3) + allyl bromide (106-95-6) → ethyl N-(2,2-dimethoxyethyl)-N-(prop-2-en-1-yl)carbamate (128740-02-3)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; potassium hydroxide; In toluene; at 20 ℃; Large scale;

Reference yield: 90.0%

ethyl N-(2,2-dimethoxyethyl)-N-(prop-2-en-1-yl)carbamate (128740-02-3) → N-allyl-N-(2-oxoethyl)carbamic acid,ethyl ester (128740-03-4)

Guidance literature:

With formic acid; for 0.5h; Reflux;

Reference yield:

ethyl N-(2,2-dimethoxyethyl)-N-(prop-2-en-1-yl)carbamate (128740-02-3) → 3-(5-benzyl-1-methyl-octahydro-pyrrolo[3,4-b]pyrrol-2-ylmethyl)-5-imidazol-1-yl-1H-indole

Guidance literature:

Multi-step reaction with 7 steps

1: 90 percent aq. HCOOH / 1 h / 100 °C

2: 71 percent / toluene / 24 h / Heating

3: 41 percent / 4 percent aq. H₂SO₄ / 15 h / Heating

4: 36 percent / HCO₂NH₄; 5 N aq. HCl / 10 percent Pd/C / methanol / 1.25 h / Heating

5: 86 percent / NaCNBH₃; AcOH / methanol / 2 h / 20 °C

6: 84 percent / conc. HCl / 40 h / Heating

7: NaCNBH₃; AcOH / methanol / 20 °C

With hydrogenchloride; formic acid; sulfuric acid; ammonium formate; sodium cyanoborohydride; acetic acid; palladium on activated charcoal; In methanol; toluene; 1: thermolysis / 2: Cyclization / 3: Fischr indolisation / 4: debenzylation / 5: reductive methylation / 6: Hydrolysis / 7: reductive alkylation;

DOI:10.1016/S0960-894X(99)00409-6

upstream raw materials:

ethyl N-(2,2-dimethoxyethyl)carbamate

allyl bromide

Downstream raw materials:

N-allyl-N-(2-oxoethyl)carbamic acid,ethyl ester

(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole

(3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-c]pyrrole

(3aR,6aR)-1-[(1R)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-c]pyrrole