1-(Benzo[d][1,3]dioxol-5-yl)propan-2-ol

Base Information

• Chemical Name: 1-(Benzo[d][1,3]dioxol-5-yl)propan-2-ol
• CAS No.: 6974-61-4
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• NSC Number: 15666
• DSSTox Substance ID: DTXSID401344502
• Nikkaji Number: J813.431F
• Mol file: 6974-61-4.mol

Synonyms:6974-61-4;1-(Benzo[d][1,3]dioxol-5-yl)propan-2-ol;1-(2H-1,3-benzodioxol-5-yl)propan-2-ol;1-(1,3-benzodioxol-5-yl)propan-2-ol;1-[3,4-(Methylenedioxy)phenyl]-2-propanol;1-(1,3-Dioxaindan-5-yl)propan-2-ol;NSC 15666;(R)-1-(3,4-methylenedioxyphenyl)-2-propanol;AI3-21015;1,3-Benzodioxole-5-ethanol, alpha-methyl-;SCHEMBL4168491;RVMKZYKJYMJYDG-UHFFFAOYSA-N;DTXSID401344502;NSC15666;3,4-methylenedioxyphenyl-2-propanol;NSC-15666;AKOS023406543;WS-01917;1-(3,4-Methylenedioxyphenyl)-2-propanol;1-(1,3-Benzodioxol-5-yl)-2-propanol #;CS-0233533;EN300-134264;W16411

Chemical Property of 1-(Benzo[d][1,3]dioxol-5-yl)propan-2-ol

Chemical Property:

• Vapor Pressure: 0.000856mmHg at 25°C
• Boiling Point: 292.1°Cat760mmHg
• Flash Point: 130.5°C
• Density: 1.219g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC2=C(C=C1)OCO2)O

Technology Process of 1-(Benzo[d][1,3]dioxol-5-yl)propan-2-ol

There total 8 articles about 1-(Benzo[d][1,3]dioxol-5-yl)propan-2-ol 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: 97.0%

1-(1,3-benzodioxol-5-yl)-2-propanone (4676-39-5) → β-oxy-α-(3',4'-methylenedioxyphenyl)propane (6974-61-4)

Guidance literature:

With sodium tetrahydroborate; In methanol;

DOI:10.1002/adsc.202100351

Reference yield: 96.0%

1-allyl-3,4-methylenedioxybenzene (94-59-7) → β-oxy-α-(3',4'-methylenedioxyphenyl)propane (6974-61-4)

Guidance literature:

1-allyl-3,4-methylenedioxybenzene; With mercury(II) diacetate; In tetrahydrofuran; at 20 ℃; for 1h;

With sodium hydroxide; sodium tetrahydroborate; In tetrahydrofuran; for 1h;

DOI:10.1081/SCC-120002397

Reference yield: 90.0%

safrole 2',3'-oxide (7470-44-2) → β-oxy-α-(3',4'-methylenedioxyphenyl)propane (6974-61-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 3h; under 3361.5 Torr;

upstream raw materials:

1-allyl-3,4-methylenedioxybenzene

1-(1,3-benzodioxol-5-yl)-2-propanone

safrole 2',3'-oxide

piperonal

Downstream raw materials:

(5S,7R)-7-methyl-5-(4-nitrophenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isochromene

2-(4-nitrobenzoyl)-4,5-methylenedioxyphenylacetone

GYKI 52895

1-(4-aminophenyl)-4-methyl-7,8-methylenedioxy-5H-2,3-benzodiazepine

Refernces

• 1、 Simon, Robert C.,Busto, Eduardo,Richter, Nina,Belaj, Ferdinand,Kroutil, Wolfgang. "Chemoenzymatic synthesis of enantiomerically pure syn-configured 1-aryl-3-methylisochroman derivatives". . p. 111 - 121. Retrieved 2014/01/06.
• 2、 Kabalka, George W.,Shoup, Timothy M.,Goudgaon, Naganna M.. "Sodium Perborate: A Mild and Convenient Reagent for Efficiently Oxidizing Organoboranes". . p. 5930 - 5933. Retrieved 2007/10/02.