DL-2-Bromopropionic acid supplier

Name
DL-2-Bromopropionic
EINECS 209-947-6
CAS No. 598-72-1
Article Data43
CAS DataBase
Density 1.773 g/cm³
Solubility soluble in water
Melting Point 25.7 °C
Formula C₃H₅BrO₂
Boiling Point 202.6 °C at 760 mmHg
Molecular Weight 152.975
Flash Point 76.3 °C
Transport Information UN 3265 8/PG 2
Appearance clear colorless to yellowish liquid after melting
Safety 26-36/37/39-45-16
Risk Codes 22-34-40-36/37/38
Molecular Structure
Hazard Symbols C,Xi,F
Synonyms 2-bromopropanoic acid;Methylbromoacetate;propanoic acid, 2-bromo-;α-Bromopropionic acid;
PSA 37.30000
LogP 0.85440

Synthetic route

: 802294-64-0
propionic acid

: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
With N-Bromosuccinimide; sulfuric acid In trifluoroacetic acid at 85℃; for 16h;	89%
With sulfuric acid; potassium bromide
With bromine verschiedene Katalysatoren;

: 10443-65-9
2-bromo-2-propenoic acid

: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
With phenylsilane; C12H23N2O2P In tetrahydrofuran at 23℃; for 2h;	88%

: 302-72-7
rac-Ala-OH

: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
With pyridinium polyhydrogen fluoride; potassium bromide; sodium nitrite for 48h; Ambient temperature;	77%
With hydrogen bromide; potassium bromide; sodium nitrite at -13℃;
With hydrogen bromide; sodium nitrite In water

: 802294-64-0
propionic acid

A: 590-92-1
3-Bromopropionic acid

B: 107-94-8
chloropropionic acid

C: 598-72-1
2-Bromopropionic acid

D: 598-78-7
(R,S)-2-chloropropionic acid

Conditions

Conditions	Yield
With hydrogenchloride; oxygen; potassium bromide; sodium nitrite In chloroform; water at 40℃; under 760.051 Torr; for 18h; Sealed tube; Irradiation;	A 65% B n/a C 23% D n/a

...Expand

: 13076-17-0
L,L-dilactide

: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
With hydrogen bromide In cyclohexane at 120℃; for 5h;	60%

: 849585-22-4
LACTIC ACID

: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
With hydrogen bromide at 100℃;

: 1,4-dibromo-2-methyl-pent-2-ene

A: 598-72-1
2-Bromopropionic acid

B: 598-31-2
1-bromoacetone

Conditions

Conditions	Yield
bei der Ozonspaltung und nachfolgenden Oxydation mit H2O2;

: 13195-80-7
1,1-dibromopropene

: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
With oxygen

: 558-13-4
carbon tetrabromide

: 802294-64-0
propionic acid

A: 590-92-1
3-Bromopropionic acid

B: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
at 150 - 180℃;
at 150 - 180℃;

...Expand

: 5445-17-0
Methyl 2-bromopropionate

A: 67-56-1
methanol

B: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
subtilisin In water at 30℃; Kinetics;

: C3H5ClHgO6

: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
With bromine In chloroform Yield given;

: 2-Bromo-propionic acid 1-phenoxy-ethyl ester

A: 75-07-0
acetaldehyde

B: 598-72-1
2-Bromopropionic acid

C: 108-95-2
phenol

Conditions

Conditions	Yield
With water In acetonitrile Rate constant; var. pH;

...Expand

dl-α-bromo-propionic acid-bromide: dl-α-bromo-propionic acid-bromide

: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
With water

: 7664-93-9
sulfuric acid

: 802294-64-0
propionic acid

KBr: KBr

: 598-72-1
2-Bromopropionic acid

...Expand

: 7726-95-6
bromine

: 106-35-4
heptan-3-one

aqueous NaOH-solution: aqueous NaOH-solution

A: 64-19-7
acetic acid

B: 802294-64-0
propionic acid

C: 598-72-1
2-Bromopropionic acid

D: 109-52-4
valeric acid

Conditions

Conditions	Yield
Produkt5: 2-Brom-valeriansaeure;

...Expand

: 849585-22-4
LACTIC ACID

: 10035-10-6, 12258-64-9
hydrogen bromide

: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
at 100℃;

: 100937-48-2
2,5-dibromo-hex-3-ene

KMnO4: KMnO4

: 598-72-1
2-Bromopropionic acid

: 859772-35-3
2,5-dibromo-hexane-3,4-diol

KMnO4: KMnO4

: 598-72-1
2-Bromopropionic acid

: 859772-35-3
2,5-dibromo-hexane-3,4-diol

chromic acid: chromic acid

: 598-72-1
2-Bromopropionic acid

: 873997-80-9
2,4-dimethyl-3-oxa-adipic acid

: 10035-10-6, 12258-64-9
hydrogen bromide

A: 2623-86-1
3-bromobutyric acid

B: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
at 70 - 80℃; <1-carboxy-ethyl>-<β-carboxy-isopropyl>-ether , solid form;

...Expand

: 100937-48-2
2,5-dibromo-hex-3-ene

: 67-64-1
acetone

KMnO4: KMnO4

A: 849585-22-4
LACTIC ACID

B: 859772-35-3
2,5-dibromo-hexane-3,4-diol

C: 127-17-3
2-oxo-propionic acid

D: 598-72-1
2-Bromopropionic acid

...Expand

: 854673-05-5
2-bromo-2-(2-methyl-propane-2-sulfonyl)-propionic acid

A: 2437-52-7
3-tert-Butyl-2,4,4-trimethyl-pent-2-ene

B: 598-72-1
2-Bromopropionic acid

C: 115-11-7
isobutene

D SO2: SO2

Conditions

Conditions	Yield
at 100℃;

...Expand

: 854673-05-5
2-bromo-2-(2-methyl-propane-2-sulfonyl)-propionic acid

diluted HBr: diluted HBr

A: 854675-65-3
2-(2-methyl-propane-2-sulfonyl)-propionic acid

B: 598-72-1
2-Bromopropionic acid

C: 75-65-0
tert-butyl alcohol

D SO2: SO2

Conditions

Conditions	Yield
at 35℃;

...Expand

: 2-bromo-propionic acid-(3-nitro-phenyl ester)

: 7732-18-5
water

A: 554-84-7
meta-nitrophenol

B: 598-72-1
2-Bromopropionic acid

...Expand

: 548740-11-0
2-[3,5-bis(trifluoromethyl)phenylsulfonyl]ethyl 2-bromopropanoate

A: 598-72-1
2-Bromopropionic acid

B: 548740-06-3
3,5-bis(trifluoromethyl)phenyl vinyl sulfone

Conditions

Conditions	Yield
With sodium hydrogencarbonate In acetone at 20℃; for 12h;

: 619-73-8
4-nitrobenzyl chloride

: 584-08-7
potassium carbonate

: 3674-13-3
2,3-dibromopropionic acid ethyl ester

: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
In acetonitrile

...Expand

: 129779-14-2
α-bromopropionyl N-hydroxysuccinimide ester

A: 6066-82-6
1-hydroxy-pyrrolidine-2,5-dione

B: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
With water

: 1551373-10-4
C9H8BrN3O2

A: 2592-95-2
benzotriazol-1-ol

B: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
With water

: 1551373-17-1
C8H7BrN4O2

A: 39968-33-7
1-hydroxy-7-aza-benzotriazole

B: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
With water

: 598-72-1
2-Bromopropionic acid

: 146307-57-5
6-benzyloxy-2-methyl-3-hexanol

: 146307-63-3
2-<(4-benzyloxy-1-isopropylbutyl)oxy>propionic acid

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran for 6h; Heating;	100%

: 4-methoxy-1,6-diphenylhex-1-yn-3-ol

: 598-72-1
2-Bromopropionic acid

: [(1-(1-methoxy-3-phenylpropyl))-3-phenylprop-2-ynyl] 2-bromopropanoate

Conditions

Conditions	Yield
Stage #1: 2-Bromopropionic acid With dicyclohexyl-carbodiimide In tetrahydrofuran at 20℃; for 0.25h; Inert atmosphere; Stage #2: 4-methoxy-1,6-diphenylhex-1-yn-3-ol With dmap In tetrahydrofuran Inert atmosphere;	100%

: (3S,5S)-5-methyl-1-phenylhept-1-yn-3-ol

: 598-72-1
2-Bromopropionic acid

: [(1-(2-methylbutyl))-3-phenylprop-2-ynyl] 2-bromopropanoate

Conditions

Conditions	Yield
Stage #1: 2-Bromopropionic acid With diisopropyl-carbodiimide In tetrahydrofuran at 20℃; for 0.25h; Inert atmosphere; Stage #2: (3S,5S)-5-methyl-1-phenylhept-1-yn-3-ol With dmap In tetrahydrofuran at 20℃; for 3h; Inert atmosphere;	100%

: 124-41-4
sodium methylate

: 598-72-1
2-Bromopropionic acid

: 4324-37-2
2-methoxypropionic acid

Conditions

Conditions	Yield
In methanol at 50℃;	99%
In methanol at 50℃; Under nitrogen;	99%
In methanol for 3.5h; Heating;	83%
In methanol at 50℃; for 20h; Inert atmosphere;	82%
In methanol at 50℃; for 12h;	10.4 g

: 67-56-1
methanol

: 124-41-4
sodium methylate

: 598-72-1
2-Bromopropionic acid

: 4324-37-2
2-methoxypropionic acid

Conditions

Conditions	Yield
Stage #1: methanol; sodium methylate; 2-Bromopropionic acid at 50℃; Stage #2: With hydrogenchloride; water pH=1;	99%

...Expand

: 598-72-1
2-Bromopropionic acid

: 79583-94-1
2-azidopropanoic acid

Conditions

Conditions	Yield
Stage #1: 2-Bromopropionic acid With sodium azide In dimethyl sulfoxide at 20℃; Stage #2: With hydrogenchloride In water; dimethyl sulfoxide at 20℃; pH=1;	99%

: 15212-29-0
5-methyl-1-phenyl-1-hexyn-3-ol

: 598-72-1
2-Bromopropionic acid

: (1-isobutyl-3-phenylprop-2-ynyl) 2-bromopropanoate

Conditions

Conditions	Yield
Stage #1: 2-Bromopropionic acid With dicyclohexyl-carbodiimide In tetrahydrofuran at 20℃; for 0.25h; Inert atmosphere; Stage #2: 5-methyl-1-phenyl-1-hexyn-3-ol With dmap In tetrahydrofuran Inert atmosphere;	97%

: 1417351-75-7
2-methylnon-5-yn-4-ol

: 598-72-1
2-Bromopropionic acid

: (1-isobutylhex-2-ynyl) 2-bromopropanoate

Conditions

Conditions	Yield
Stage #1: 2-Bromopropionic acid With dicyclohexyl-carbodiimide In tetrahydrofuran at 20℃; for 0.25h; Inert atmosphere; Stage #2: 2-methylnon-5-yn-4-ol With dmap In tetrahydrofuran Inert atmosphere;	97%

: 950478-98-5
(3S,4R,5R)-1,5-bis(tert-butyldimethylsilyloxy)-4-methyl-3-heptanol

: 598-72-1
2-Bromopropionic acid

: 950479-00-2
C23H49BrO4Si2

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 0.583333h;	96%

: 32556-70-0
(R)-1-octyn-3-ol

: 598-72-1
2-Bromopropionic acid

: (R)-oct-1-yn-3-yl 2-bromopropanoate

Conditions

Conditions	Yield
Stage #1: 2-Bromopropionic acid With dicyclohexyl-carbodiimide In tetrahydrofuran at 20℃; for 0.25h; Inert atmosphere; Stage #2: (R)-1-octyn-3-ol With dmap In tetrahydrofuran Inert atmosphere;	96%

: 43112-38-5
3-(trimethylsilyl)-2-oxazolidinone

: 598-72-1
2-Bromopropionic acid

: 18187-27-4
α-bromo-propionic acid trimethylsilylester

Conditions

Conditions	Yield
In tetrachloromethane at 77℃; for 0.333333h;	95%

: 98-54-4
para-tert-butylphenol

: 598-72-1
2-Bromopropionic acid

: 6941-12-4, 16453-52-4, 16453-53-5
2-(p-tert-butylphenoxy)propionic acid

Conditions

Conditions	Yield
Stage #1: para-tert-butylphenol With sodium hydride In N,N-dimethyl-formamide at 25 - 30℃; for 0.5h; Stage #2: 2-Bromopropionic acid In N,N-dimethyl-formamide at 20 - 25℃; for 4h;	95%
With sodium hydroxide In ethanol at 80℃; for 24h;	62%
With sodium hydroxide In ethanol for 24h; Heating;
With sodium hydroxide In ethanol for 24h; Schlenk technique; Inert atmosphere; Reflux;

: 950479-32-0
(3R,4S,5R)-4-methyl-1,3-bis(tert-butyldimethylsilyloxy)-heptan-5-ol

: 598-72-1
2-Bromopropionic acid

: 950479-34-2
C23H49BrO4Si2

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 1.5h;	95%

: 598-72-1
2-Bromopropionic acid

: 155193-07-0
1-phenyl hept-6-en-1-yn-3-ol

: [(1-(2-phenylethynyl))pent-4-enyl] 2-bromopropanoate

Conditions

Conditions	Yield
Stage #1: 2-Bromopropionic acid With dicyclohexyl-carbodiimide In tetrahydrofuran at 20℃; for 0.25h; Inert atmosphere; Stage #2: 1-phenyl hept-6-en-1-yn-3-ol With dmap In tetrahydrofuran Inert atmosphere;	95%

: C16H15N3OS

: 598-72-1
2-Bromopropionic acid

: 2-[4-phenyl-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-ylsulfanyl]propanoic acid

Conditions

Conditions	Yield
Stage #1: C16H15N3OS; 2-Bromopropionic acid With potassium hydroxide In water for 2h; Reflux; Stage #2: With acetic acid In water pH=5;	95%

: 1018976-12-9, 1018976-14-1, 1104620-66-7
5-hydroxy-1-cyclooctene

: 598-72-1
2-Bromopropionic acid

: C11H17BrO2

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 24h; Inert atmosphere;	95%

: 598-72-1
2-Bromopropionic acid

: 56-12-2
4-amino-n-butyric acid

: sodium 4-((1-carboxylatoethyl)amino)butanoate

Conditions

Conditions	Yield
With sodium hydroxide In water at 30 - 40℃; for 2h;	95%

: 598-72-1
2-Bromopropionic acid

: tert-butyl (2-hydroxymethyl)acrylate

: 1097058-05-3
tert-butyl 2-((2-bromopropanoyloxy)methyl)acrylate

Conditions

Conditions	Yield
at 20℃;	94.4%

: 598-72-1
2-Bromopropionic acid

: 121065-74-5
tert-butyl 2-hydroxymethylacrylate

: 1097058-05-3
tert-butyl 2-((2-bromopropanoyloxy)methyl)acrylate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide at 20℃;	94.4%
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃;	94.4%
With dmap; dicyclohexyl-carbodiimide at 20℃;	94.4%

: 598-72-1
2-Bromopropionic acid

: 537653-10-4
4-(3-nitro-phenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione

: 537653-28-4
2-methyl-5-(3-nitro-phenyl)-7-phenyl-5H-thiazolo[3,2-a]pyrimidin-3-one

Conditions

Conditions	Yield
With sodium acetate; acetic anhydride; acetic acid for 2h; Heating;	94%

: 60-12-8
2-phenylethanol

: 598-72-1
2-Bromopropionic acid

: 1013632-41-1
2-phenethoxypropanoic acid

Conditions

Conditions	Yield
Stage #1: 2-phenylethanol With sodium hydride In tetrahydrofuran; mineral oil at 0℃; Stage #2: 2-Bromopropionic acid In tetrahydrofuran; mineral oil at 0℃; Reflux;	94%

DL-2-Bromopropionic acid Consensus Reports

Reported in EPA TSCA Inventory.

DL-2-Bromopropionic acid Specification

The DL-2-Bromopropionic acid, with the CAS registry number 598-72-1 and EINECS registry number 209-947-6, has the systematic name of 2-bromopropanoic acid. And the molecular formula of this chemical is C₃H₅BrO₂. It is a kind of clear colorless to yellowish liquid after melting, and belongs to the following product categories: Organic acids; Acid based bromo compounds; 500 Series Drinking Water Methods; Alpha Sort; B; BI - BZEPA; Method 552; Volatiles/ Semivolatiles; C1 to C5; Carbonyl Compounds; Carboxylic Acids. What's more, it is used as intemediate in organic sythesis, and also used in the produce of napropamid and berbicides.

The physical properties of DL-2-Bromopropionic acid are as following: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.63; (4)ACD/LogD (pH 7.4): -2.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 25.2 cm³; (15)Molar Volume: 86.2 cm³; (16)Polarizability: 9.9×10^-24cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.773 g/cm³; (19)Flash Point: 76.3 °C; (20)Enthalpy of Vaporization: 48.37 kJ/mol; (21)Boiling Point: 202.6 °C at 760 mmHg; (22)Vapour Pressure: 0.12 mmHg at 25°C.

Uses of Propanoicacid, 2-bromo-: It can react with 2-methyl-propene to produce 2-bromo-propionic acid tert-butyl ester. This reaction will need reagent H₂SO₄, and the solvent CH₂Cl₂.

Propanoicacid, 2-bromo- can react with 2-methyl-propene to produce 2-bromo-propionic acid tert-butyl ester

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful if swallowed. What's more, it may cause burns and carcinogenic effect. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Keep away from sources of ignition - No smoking; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(C(=O)O)C
(2)InChI: InChI=1/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
(3)InChIKey: MONMFXREYOKQTI-UHFFFAOYAA

Product Name

DL-2-Bromopropionic

Synthetic route

DL-2-Bromopropionic acid Consensus Reports

DL-2-Bromopropionic acid Specification

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