3-(1,3-Benzodioxol-5-yl)-1-(benzotriazol-1-yl)prop-2-en-1-one

Base Information

• Chemical Name: 3-(1,3-Benzodioxol-5-yl)-1-(benzotriazol-1-yl)prop-2-en-1-one
• CAS No.: 6209-00-3
• Molecular Formula: C₅H₉NO₅
• Molecular Weight: 163.13
• DSSTox Substance ID: DTXSID80394035
• Mol file: 6209-00-3.mol

Synonyms:3-(1,3-benzodioxol-5-yl)-1-(benzotriazol-1-yl)prop-2-en-1-one;6209-00-3;CDS1_003681;CBMicro_011105;DivK1c_004721;DTXSID80394035

Chemical Property of 3-(1,3-Benzodioxol-5-yl)-1-(benzotriazol-1-yl)prop-2-en-1-one

Chemical Property:

• Vapor Pressure: 1.22E-10mmHg at 25°C
• Boiling Point: 513.1°C at 760 mmHg
• Flash Point: 264.1°C
• PSA: 66.24000
• Density: 1.41g/cm³
• LogP: 2.51360
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 293.08004122
• Heavy Atom Count: 22
• Complexity: 456

Purity/Quality:

L-ERYTHRO-3-HYDROXYGLUTAMIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C=CC(=O)N3C4=CC=CC=C4N=N3

Technology Process of 3-(1,3-Benzodioxol-5-yl)-1-(benzotriazol-1-yl)prop-2-en-1-one

There total 19 articles about 3-(1,3-Benzodioxol-5-yl)-1-(benzotriazol-1-yl)prop-2-en-1-one 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: 31.0%

diethyl 3-hydroxyglutamate (7683-73-0,7684-01-7,97315-79-2,101468-96-6) → erythro-3-hydroxyglutamic acid (533-62-0,5985-23-9,6208-97-5,6208-98-6,6208-99-7,6209-00-3,10303-67-0,13593-84-5,17093-76-4,17598-55-9,18304-61-5,25541-20-2,50896-27-0)

Guidance literature:

With hydrogenchloride; for 1.5h; Heating;

DOI:10.1021/jo00217a029

Reference yield:

C14H17NO6 → threo-3-hydroxyglutamic acid (533-62-0,5985-23-9,6208-97-5,6208-98-6,6208-99-7,6209-00-3,10303-67-0,13593-84-5,17093-76-4,17598-55-9,18304-61-5,25541-20-2,50896-27-0) + erythro-3-hydroxyglutamic acid (533-62-0,5985-23-9,6208-97-5,6208-98-6,6208-99-7,6209-00-3,10303-67-0,13593-84-5,17093-76-4,17598-55-9,18304-61-5,25541-20-2,50896-27-0)

Guidance literature:

With hydrogenchloride; In methanol; at 115 ℃; for 4h; Title compound not separated from byproducts.;

DOI:10.1021/np050378g

Reference yield:

C14H17NO6 → threo-3-hydroxyglutamic acid (533-62-0,5985-23-9,6208-97-5,6208-98-6,6208-99-7,6209-00-3,10303-67-0,13593-84-5,17093-76-4,17598-55-9,18304-61-5,25541-20-2,50896-27-0) + erythro-3-hydroxyglutamic acid (533-62-0,5985-23-9,6208-97-5,6208-98-6,6208-99-7,6209-00-3,10303-67-0,13593-84-5,17093-76-4,17598-55-9,18304-61-5,25541-20-2,50896-27-0)

Guidance literature:

With hydrogenchloride; In methanol; at 115 ℃; for 4h; Title compound not separated from byproducts.;

DOI:10.1021/np050378g

upstream raw materials:

DL-threo-N-acetyl-3-hydroxy-glutamic acid diethyl ester

DL-erythro-N-benzoyl-3-hydroxy-glutamic acid diethyl ester

DL-erythro-3-hydroxy-glutamic acid diethyl ester; hydrochloride

diethyl 1,3-acetonedicarboxylate

Downstream raw materials:

α-ketoglutaric acid

ammonia

betaine