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5221-17-0

Basic Information
CAS No.: 5221-17-0
Name: 3,5-DI-T-BUTYL-4-METHOXYBENZALDEHYDE
Article Data: 24
Molecular Structure:
Molecular Structure of 5221-17-0 (3,5-DI-T-BUTYL-4-METHOXYBENZALDEHYDE)
Formula: C3H4 Br2 O
Molecular Weight: 215.872
Synonyms: Propionaldehyde,2,3-dibromo- (7CI,8CI); 2,3-Dibromopropanal; 2,3-Dibromopropional;2,3-Dibromopropionaldehyde; Acrolein dibromide; NSC 6737
Density: 2.114g/cm3
Boiling Point: 191.9°Cat760mmHg
Flash Point: 88°C
Safety: Poison by intravenous route. Mutagenic data reported. When heated to decomposition it emits toxic fumes of Br. See also ALDEHYDES and BROMIDES.
PSA: 17.07000
LogP: 1.34370
Synthetic route
107-02-8

acrolein

5221-17-0

2,3-dibromopropanal

Conditions
ConditionsYield
With bromine In tetrachloromethane at 0℃; Cooling with ice;80%
With bromine Ambient temperature; competitive bromination with 1-heptene; other unsaturated carbonyl compound;
With bromine
18791-02-1

2,3-dibromo-propionyl chloride

5221-17-0

2,3-dibromopropanal

Conditions
ConditionsYield
With lithium tri(t-butoxy)aluminum hydride In tetrahydrofuran Reduction;79%
10463-48-6

3,4-dibromo-1-butene

A

50-00-0

formaldehyd

B

5221-17-0

2,3-dibromopropanal

Conditions
ConditionsYield
bei der Ozonspaltung;
109-64-8

1,3-dibromo-propane

5221-17-0

2,3-dibromopropanal

Conditions
ConditionsYield
With water; bromine
107-02-8

acrolein

A

5221-17-0

2,3-dibromopropanal

B

2,3,3-tribromo-propionaldehyde

Conditions
ConditionsYield
With bromine
627-15-6

1,3-dibromopropene

aqueous bromine

aqueous bromine

5221-17-0

2,3-dibromopropanal

85858-56-6

4,5-dibromo-pent-2-enoic acid

67-66-3

chloroform

A

5221-17-0

2,3-dibromopropanal

B

oxasoic acid

oxasoic acid

5221-17-0

2,3-dibromopropanal

35933-97-2

N-(1-trifluoromethyltrifluoroethylidene)-2-trifluoromethyl-3,3,3-trifluoropropionamide

83926-93-6

2-(1,2-dibromoethyl)-4,4-bis(trifluoromethyl)-6-(2-hydrohexafluoroisopropyl)-2H,4H-1,3,5-dioxazine

Conditions
ConditionsYield
In tetrachloromethane at 100℃; for 1h;94.8%
5221-17-0

2,3-dibromopropanal

17660-57-0

meso-2,3-Dimercaptobernsteinsaeure-dimethylester

(4R,5S)-2-(1,2-Dibromo-ethyl)-[1,3]dithiolane-4,5-dicarboxylic acid dimethyl ester

Conditions
ConditionsYield
With toluene-4-sulfonic acid90%
5221-17-0

2,3-dibromopropanal

873-55-2

sodium benzenesulfonate

(E)-3-(phenylsulfonyl)acrylaldehyde

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 20h;76%
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Chemistry

IUPAC Name: 2,3-Dibromopropanal
Product Name: 2,3-Dibromopropanal
The MF of 2,3-Dibromopropanal (CAS NO.5221-17-0) is C3H4Br2O.

                         
The MW of 2,3-Dibromopropanal (CAS NO.5221-17-0) is 215.8713.
Synonyms of 2,3-Dibromopropanal (CAS NO.5221-17-0):  Propanal, 2,3-dibromo- ; 2,3-Dibromopropionaldehyde ; Propanal, 2,3-dibromo- (9CI) ; Propionaldehyde, 2,3-dibromo-
Product Categories: Pharmaceutical Intermediates
Form: Light yellow fuming liquid
EINECS: 226-017-5
Index of Refraction: 1.53 
Density: 2.114 g/ml 
Flash Point: 88 °C
Boiling Point: 191.9 °C

Uses

  2,3-Dibromopropanal (CAS NO.5221-17-0) is anti-tumor class medicine for medical methylamine neopterin production,also for other organic synthesis intermediates.

Production

Preparation Products: Folic acid
Raw materials: Carbon tetrachloride-->Acrolein

Toxicity Data With Reference

1.    

mmo-sat 1 nmol/plate

    MUREAV    Mutation Research. 78 (1980),113.
2.    

ipr-mus LD50:5 mg/kg

    JAFCAU    Journal of Agricultural and Food Chemistry. 30 (1982),627.
3.    

ivn-mus LD50:56 mg/kg

    CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#02408 .

Safety Profile

Poison by intravenous route. Mutagenic data reported. When heated to decomposition it emits toxic fumes of Br. See also ALDEHYDES and BROMIDES.