CAS No.107-95-9,beta-Alanine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	107-95-9
Name:	beta-Alanine
Article Data:	231

Formula:	C₃H₇NO₂
Molecular Weight:	89.0941
Synonyms:	β-Aminopropionic acid;omega-Aminopropionic acid;beta-Alanine (6CI,8CI,9CI);Propanoic acid, 3-amino-;Alanine, beta-;beta-aminopropionic acid;3-Aminopropionsaeure;a-Alanine;Alanine (beta-);H-β-Alanine;H-β-Ala-OH;3-amino-;.beta.-Aminopropionic acid;3-Aminopropionic acid;beta-Aminopropionsaeure;2-Carboxyethylamine;3-aminopropanoate;Abufene;3-azaniumylpropanoate;3-Aminopropanoic acid;
EINECS:	203-536-5
Density:	1.166 g/cm³
Melting Point:	202 °C (dec.)(lit.)
Boiling Point:	237.1 °C at 760 mmHg
Flash Point:	97.2 °C
Solubility:	water: 1 M at 20 °C, clear, colorless
Appearance:	white crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25-36-26
PSA:	63.32000
LogP:	0.12010

Synthetic route

: 137-08-6, 867-80-1, 6381-62-0, 6381-63-1, 15773-29-2, 64789-49-7, 122484-60-0, 131346-21-9
calcium-N-(2,4-dihydroxy-3,3-dimethylbutyryl)-β-alaninate

A: 79-50-5
pantolactone

B: 107-95-9
3-amino propanoic acid

Conditions

Conditions	Yield
With hydrogenchloride In water at 80℃; for 1.75h; Rate constant;	A 100% B 100%

: 75033-16-8
pantothenic acid sodium salt

A: 79-50-5
pantolactone

B: 107-95-9
3-amino propanoic acid

Conditions

Conditions	Yield
With hydrogenchloride In water at 80℃; for 1.25h; Rate constant;	A 100% B 100%

: 3303-84-2
3-(tert-butyloxycarbonylamino)propionic acid

: 107-95-9
3-amino propanoic acid

Conditions

Conditions	Yield
With water at 170℃; for 0.05h; Microwave irradiation;	100%

: 151-18-8
2-cyanoethylamine

: 107-95-9
3-amino propanoic acid

Conditions

Conditions	Yield
In water at 35℃; for 6h; Temperature; Enzymatic reaction;	98.4%
With water; sodium hydroxide at 100 - 110℃; under 37503.8 Torr; for 0.025h; Concentration; Pressure; Temperature; Flow reactor;	98%
Stage #1: 2-cyanoethylamine With hydrogenchloride In water Stage #2: In water at 40℃; for 8h; pH=7; Enzymatic reaction; Stage #3: With hydrogenchloride In water at 40℃; for 8h; pH=6; Kinetics; Enzymatic reaction;	90%

: 504-88-1
3-nitropropionic acid

: 107-95-9
3-amino propanoic acid

Conditions

Conditions	Yield
With ammonium formate; palladium on activated charcoal In methanol for 0.333333h; Ambient temperature;	98%
With hydrogen at 100℃; under 7500.75 Torr; for 12h; Sealed tube; Autoclave;	87%

: 105-34-0
methyl 2-cyanoacetate

: 107-95-9
3-amino propanoic acid

Conditions

Conditions	Yield
Stage #1: methyl 2-cyanoacetate With hydrogen In ethanol at 100℃; under 7500.75 Torr; for 5h; Autoclave; Stage #2: With water In ethanol	94%
With sulfuric acid; acetic acid; platinum Hydrogenation.unter Druck und Hydrolyse der Reaktionsprodukts;
With hydrogenchloride; palladium Hydrogenation.Hydrolyse des Reaktionsprodukts;

: 105-56-6
ethyl 2-cyanoacetate

: 107-95-9
3-amino propanoic acid

Conditions

Conditions	Yield
Stage #1: ethyl 2-cyanoacetate With hydrogen In ethanol at 80℃; under 3750.38 Torr; for 10h; Autoclave; Stage #2: With water In ethanol	92%
With hydrogenchloride; palladium Hydrogenation.Hydrolyse des Reaktionsprodukts;
With ethanol; nickel Hydrogenation.Hydrolyse des Reaktionsprodukts;

: 125506-43-6
N-Diphenylmethylene-β-alanine benzyl ester

: 107-95-9
3-amino propanoic acid

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In methanol under 760 Torr; for 14h; Ambient temperature;	90%

: 95503-55-2
N-benzylisoxazolidin-5-one

: 107-95-9
3-amino propanoic acid

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen In 1,4-dioxane; water at 60℃; for 16h;	85%

: 6915-18-0
2-butenedioic acid

: 107-95-9
3-amino propanoic acid

Conditions

Conditions	Yield
With aspartate-α-decarboxylase; 3-methylaspartate ammonia lyase; ammonium chloride; magnesium chloride In aq. buffer at 25℃; for 24h; pH=8; Enzymatic reaction;	85%

Raw Materials

7664-93-9

10034-85-2

110-89-4

505-47-5

3589-45-5

7732-18-5

590-92-1

64-19-7

Downstream Products

57-57-8

462-88-4

56-40-6

Total:333 Page 1 of 9 1 2 3 4 5 6 …9 Next>>

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Specification

1. Introduction of β-Alanine

For being one kind of powder, β-Alanine has its IUPAC name of 3-aminopropanoic acid. It is an amino acid formed in vivo by the degradation of dihydrouracil and carnosine. It is a component of the naturally occurring peptides carnosine and anserine and also of pantothenic acid (vitamin B5) which itself is a component of coenzyme A. Besides, it should be stored in sealed container, and put in a cool and dry place, away from oxidant. As to the application of β-Alanine, it can be used as electroplating corrosion inhibitors and biochemical reagents.

2. Properties of β-Alanine

Physical properties about this chemical are: (1)ACD/LogP: -0.86; (2)ACD/LogD (pH 5.5): -3.36; (3)ACD/LogD (pH 7.4): -3.36; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54 Å²; (12)Index of Refraction: 1.463; (13)Molar Refractivity: 21.04 cm³; (14)Molar Volume: 76.3 cm³; (15)Polarizability: 8.34 ×10^-24cm³; (16)Surface Tension: 49.3 dyne/cm; (17)Density: 1.166 g/cm³; (18)Flash Point: 97.2 °C; (19)Enthalpy of Vaporization: 52.2 kJ/mol; (20)Boiling Point: 237.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0156 mmHg at 25°C.

3. Structure Descriptors of β-Alanine

You could convert the following datas into the molecular structure:
(1). InChI: InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
(2). InChIKey: InChIKey=UCMIRNVEIXFBKS-UHFFFAOYSA-N
(3). Smiles: C(C(O)=O)CN

4. Safety Information of β-Alanine

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 24/25-36-26
WGK Germany: 3
RTECS UA2369200
HS Code 29224920

5. Preparation of β-Alanine

Preparation of β-Alanine: it can be prepared by β-aminopropylnitrile through hydrolysis. In addition, it can be prepared by 3-nitro-propionic acid. This reaction will need reagent anhydrous ammonium formate, catalyst 10 percent Pd-C and solvent methanol. The reaction time is 20 minutes with ambient temperature. The yield is about 98%.

β-Alanine can be prepared by 3-nitro-propionic acid

6. Uses of β-Alanine

Uses of β-Alanine: it is used as a raw material to synthesize calcium pantothenate. In addition, it can be used to get azetidin-2-one. This reaction will need reagents methanesulfonyl chloride and NaHCO₃, and solvent acetonitrile. The yield is about 80% at the reaction temperature of 80 °C.

β-Alanine can be used to get azetidin-2-one