(R)-3-amino-1-butanol
- Product Name
- (R)-3-amino-1-butanol
- CAS No.
- 61477-40-5
- Chemical Name
- (R)-3-amino-1-butanol
- Synonyms
- R-3-amino-1-butanol;Dolutegravir INT 2;(-)-(R)-3-aMinopropan-1-ol;(-)-(R)-3-aMinopropan-1-ol;DOLUTEGRAVIR2;R-3-aMnio-butanol;(R)-3-Amine-Butanol;(R)-3-AMINO-1-BUTANO;(R)-3Amiro-1-butanol;(R)-3-Amin-1-butanol
- CBNumber
- CB02129543
- Molecular Formula
- C4H11NO
- Formula Weight
- 89.14
- MOL File
- 61477-40-5.mol
(R)-3-amino-1-butanol Property
- Boiling point:
- 168℃
- Density
- 0.927
- refractive index
- 1.4530 to 1.4570
- Flash point:
- 56℃
- storage temp.
- under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- soluble in Dichloromethane, DMSO
- form
- clear liquid
- pka
- 15.00±0.10(Predicted)
- color
- Colorless to Light orange to Yellow
- InChI
- InChI=1S/C4H11NO/c1-4(5)2-3-6/h4,6H,2-3,5H2,1H3/t4-/m1/s1
- InChIKey
- AGMZSYQMSHMXLT-SCSAIBSYSA-N
- SMILES
- C(O)C[C@H](N)C
- CAS DataBase Reference
- 61477-40-5
Safety
- RIDADR
- 2735
- HS Code
- 2922.19.9690
- HazardClass
- 8
- PackingGroup
- Ⅲ
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H226Flammable liquid and vapour
H314Causes severe skin burns and eye damage
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233Keep container tightly closed.
P240Ground/bond container and receiving equipment.
P241Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242Use only non-sparking tools.
P243Take precautionary measures against static discharge.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P363Wash contaminated clothing before reuse.
P370+P378In case of fire: Use … for extinction.
P403+P235Store in a well-ventilated place. Keep cool.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- A2951
- Product name
- (R)-3-Amino-1-butanol
- Purity
- >98.0%(GC)(T)
- Packaging
- 1g
- Price
- $103
- Updated
- 2024/03/01
- Product number
- A2951
- Product name
- (R)-3-Amino-1-butanol
- Purity
- >98.0%(GC)(T)
- Packaging
- 5g
- Price
- $356
- Updated
- 2024/03/01
- Product number
- A602105
- Product name
- (R)-3-Aminobutan-1-ol
- Packaging
- 1g
- Price
- $1190
- Updated
- 2021/12/16
- Product number
- A602105
- Product name
- (R)-3-Aminobutan-1-ol
- Packaging
- 100mg
- Price
- $150
- Updated
- 2021/12/16
- Product number
- 092790
- Product name
- (R)-3-Aminobutan-1-ol
- Packaging
- 25g
- Price
- $164
- Updated
- 2021/12/16
(R)-3-amino-1-butanol Chemical Properties,Usage,Production
Description
(R)-3-AMINO-1-BUTANOL is an alcohol organic compound, which is a key intermediate for many chiral drugs.
Chemical Properties
Colorless Liquid
Uses
(R)-3-Aminobutan-1-ol, can be used as an intermediate in the preparation of compounds having HIV integrase inhibitory activity.
Definition
(R)-3-amino-1-butanol is the most critical building block for synthesizing pharmaceuticals, including Dolutegravir, penicillium antibiotics, and anti-tumor drug 4-methylcyclophosphamide. Mainly, Dolutegravir is a new-generation integrase inhibitor for the treatment of HIV infection[1]. Currently, this compound is mainly achieved by chemical methods. A ruthenium complex could be used to catalyze the hydrogen reduction of (R)-3-aminobutyric acid ester to (R)-3-amino-1-butanol[2].
Synthesis
Release of (R)-3-amino-1-butanol From the (S)-mandelic Salt Thereof; The (S)-mandelic salt of (R)-3-amino-1-butanol obtained in Example 1.1 (372 g, 1.54 mol) was suspended in triethanolamine (1 I) at 80° C., and the slurry was admixed with sodium methoxide (277.6 g, 1.54 mol; 30% in methanol), which gave a clear solution. This was heated to 100° C. and vacuum was applied. In a stepwise manner, a pressure of 750, 500, 250, 100, 50 and finally 20 mbar was applied. Through an attached Claisen distillation head (no return stream, no column), a clear distillate distilled over at a top temperature of 50 to 60° C., which was predominantly methanol. The pressure was then lowered further to 5 mbar, and (R)-3-amino-1-butanol distilled over at a top temperature of 76° C. The product was distilled once again in a water jet pump vacuum, in the course of which (R)-3-amino-1-butanol distilled over at 93° C. and 26 mbar. This gave 125 g (91% of theory) of (R)-3-amino-1-butanol as a colorless liquid with an optical purity of 99.6% ee.The optical purity of (R)-3-amino-1-butanol was determined by means of GC. To this end, (R)-3-amino-1-butanol (200 mg) and triethylamine (300 mg) were dissolved in diethyl ether (15 ml) and admixed with trifluoroacetic anhydride (0.6 ml). After stirring for 30 minutes, saturated ammonium chloride solution (5 ml) was added and the mixture was stirred for a further 15 minutes. Subsequently, the mixture was left to stand until two phases had formed, and a sample of the upper clear phase was analyzed by GC.Column: Hydrodex-TBDAc, 25 m×0.25 mm, Macherey & NagelInlet temperature: 250° C.Detector temperature: 250° C.Injection volume : 0.5 μlMode: SplitSplit ratio: 100:1Carrier gas: HeFlow: 0.8 ml/min (constant flow)Program:Initial temperature: 135° C.Initial time: 10 minRate: 5° C./minFinal temperature: 170° C.Final time: 35 minRetention times:R enantiomer: 17.68 min (N-trifluoroacylated) 21.23 min (N,O-bis-trifluoroacylated)S enantiomer: 18.24 min (N-trifluoroacylated) 20.11 min (N,O-bis-trifluoroacylated)
References
[1] TangXiao-Ling. "Efficient biosynthesis of (R)-3-amino-1-butanol by a novel (R)-selective transaminase from Actinobacteria sp." Journal of biotechnology 295 (2019): 49–54.
[2] H?hneMatthias. "Rational assignment of key motifs for function guides in silico enzyme identification." Nature chemical biology 6 11 (2010): 807–13.
(R)-3-amino-1-butanol Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from (R)-3-amino-1-butanol manufacturers
- Product
- (R)-3-Amino-1-Butanol/ Intermediate Of Dolutegravir 61477-40-5
- Price
- US $0.00/Kg/Bag
- Min. Order
- 2Kg/Bag
- Purity
- 99% up, High Density
- Supply Ability
- 20 tons
- Release date
- 2023-04-20
- Product
- (R)-3-AMINO-1-BUTANOL 61477-40-5
- Price
- US $0.00-0.00/kg
- Min. Order
- 25kg
- Purity
- 99.0%
- Supply Ability
- 1000000
- Release date
- 2023-11-25
- Product
- (R)-3-amino-1-butanol 61477-40-5
- Price
- US $100.00-75.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 5000Ton
- Release date
- 2024-08-13