Bromoacetaldehyde diethyl acetal

Base Information

• Chemical Name: Bromoacetaldehyde diethyl acetal
• CAS No.: 2032-35-1
• Deprecated CAS: 72516-42-8,2250082-48-3
• Molecular Formula: C6H13BrO2
• Molecular Weight: 197.072
• Hs Code.: 29110000
• European Community (EC) Number: 217-989-1
• NSC Number: 8036
• UNII: M4DGX2BMU9
• DSSTox Substance ID: DTXSID2062111
• Nikkaji Number: J24.192J
• Wikidata: Q15726047
• ChEMBL ID: CHEMBL2251333
• Mol file: 2032-35-1.mol

Synonyms:Bromoacetaldehyde diethyl acetal;2032-35-1;2-Bromo-1,1-diethoxyethane;Bromoacetal;2,2-Diethoxyethyl bromide;Ethane, 2-bromo-1,1-diethoxy-;1-Bromo-2,2-diethoxyethane;Bromacetal;1,1-Diethoxy-2-bromoethane;Diethyl bromoacetal;2-Bromoacetaldehyde diethyl acetal;Bromoacetaldehyde diethylacetal;2-bromo-1,1-diethoxy-ethane;Diethyl bromoacetaldehyde acetal;C6H13BrO2;Acetaldehyde, bromo-, diethyl acetal;NSC 8036;M4DGX2BMU9;NSC-8036;EINECS 217-989-1;BROMACETALDEHYDE DIETHYL ACETAL;.alpha.-Bromoacetaldehyde diethyl acetal;AI3-28195;MFCD00000214;BADEA;BrCH2CH(OEt)2;2,2-diethoxyethylbromide;UNII-M4DGX2BMU9;2-bromo-l,1-diethoxyethane;2,2-diethoxy-1-bromoethane;bromacetaldehyde-diethylacetal;bromoactaldehyde diethylacetal;bromoacetaldehyde-diethylacetal;SCHEMBL103234;2-bromo- 1,1-diethoxyethane;bromoacetoaldehyde diethylacetal;2-Bromo-1,1-diethoxy ethane;bromo-acetaldehyde-diethylacetal;bromoacetaldehyde diethyl-acetal;bromoacetaldehyde-diethyl acetal;Bromoacetaldehyde diethyl acetul;Bromoacetaldehyde-diethyl-acetal;bromoacetoaldehyde diethyl acetal;C6-H13-Br-O2;(2-bromo-1-ethoxyethoxy)ethane;2-bromoacetaldehyde diethylacetal;bromo acetaldehyde diethyl acetal;bromo-acetaldehyde diethyl acetal;bromo-acetaldehyde diethyl-acetal;CHEMBL2251333;DTXSID2062111;brom oacetaldehyde diethyl acetaal;NSC8036;2-bromo-1,1-bis(ethyloxy)ethane;AMY12208;STR00945;BBL011518;STL146634;AKOS000119981;Bromoacetaldehyde diethyl acetal, 97%;AC-2030;PB25876;Bromoacetal 2-Bromo-1,1-diethoxyethane;BP-30201;B0957;EN300-19659;A814437;J-508165;Q15726047;F0001-0717;2-Bromo-1,1-diethoxyethane(bromoacetaldehydediethylacetal)

Chemical Property of Bromoacetaldehyde diethyl acetal

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 0.599mmHg at 25°C
• Refractive Index: n20/D 1.439(lit.)
• Boiling Point: 195.1 °C at 760 mmHg
• Flash Point: 51.7 °C
• PSA: 18.46000
• Density: 1.28 g/cm³
• LogP: 1.78040
• Storage Temp.: 0-6°C
• Sensitive.: Moisture Sensitive
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: immiscible
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 196.00989
• Heavy Atom Count: 9
• Complexity: 53

Purity/Quality:

99% ^*data from raw suppliers

Bromoacetaldehyde diethyl acetal ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,T
• Hazard Codes: Xi,T
• Statements: 10-36-36/38-23-22
• Safety Statements: 16-26-45-38-37/39-28A-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(CBr)OCC
• Uses: Synthetic building block1,2 Bromoacetaldehyde diethyl acetal, is used as a synthetic building block. It is mainly used for synthesis of antibiotics such as erythromycin and cephalosporins and to other drugs. It also can be used as pharmaceutical intermediates. Besides, this chemical can be used to pruduce drugs such as methylthio imidazole, chlorpheniramine and others for thyroid. It also acts as a Useful intermediate for the preparation of other ?-heterosubstituted acetaldehyde acetals.

Technology Process of Bromoacetaldehyde diethyl acetal

There total 17 articles about Bromoacetaldehyde diethyl acetal 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: 60.9%

diethyl acetal (105-57-7,30846-29-8) → Bromoacetaldehyde diethyl acetal (2032-35-1)

Guidance literature:

With bromine; calcium carbonate; 1.) 1 h, 10 deg C; 2.) room temp., 14 h;

DOI:10.1016/S0008-6215(00)85301-X

Reference yield:

1,2-dibromoethyl ethyl ether (2983-26-8) → ethyl bromide (74-96-4) + ethanol (64-17-5) + (Z)-1-bromo-2-ethoxyethene (23521-49-5) + (E)-1-bromo-2-ethoxyethene (16339-88-1) + Bromoacetaldehyde diethyl acetal (2032-35-1) + 1-ethoxyacetylene (927-80-0)

Guidance literature:

With N,N-diethylaniline; at 98 ℃; for 2.5h; Product distribution; other bases, var. conditions;

DOI:10.1021/jo00369a004

Reference yield:

ethanol (64-17-5) + 2,2,3,4-tetrabromo-butyraldehyde → ethyl bromide (74-96-4) + ethyl bromoacetate (105-36-2) + Bromoacetaldehyde diethyl acetal (2032-35-1) + bromoacetaldehyde (17157-48-1)

Guidance literature:

upstream raw materials:

ethanol

diethyl acetal

vinyl acetate

α-Chloro-β-bromoethyl ethyl ether

Downstream raw materials:

1-piperidinyl-acetaldehyde diethyl acetal

4-(2,2-diethoxy-ethyl)-morpholine

3-phenyl-3-[2]pyridyl-propionaldehyde-diethylacetal

2-(4-phenyl-1⁽³⁾H-imidazol-2-ylmercapto)-acetaldehyde-diethylacetal

Refernces

• 1、 Aparicio, F. J. Lopez,Benitez, F. Zorrilla,Gonzalez, F. Santoyo. "Transformations of diglycolaldehyde dithioacetals in the presence of boron trifluride-ether complex". . p. 117 - 122. Retrieved 1981.
• 2、 Bedoukian. "-". . p. 651. Retrieved 1944.
• 3、 -. "Nitrogenous heterocyclic compounds and hyperlipemia remedy containing the same". . . Retrieved 2008/06/13.
• 4、 -. "Herbicidal composition containing dioxolane, dioxane, or dioxepane derivatives as antidote". . . Retrieved 2008/06/13.