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(2S)-2-Amino-3,3-dimethyl-1-butanol

(2S)-2-Amino-3,3-dimethyl-1-butanol structure

CAS No:
112245-13-3
Formula:
C6H15NO
Chemical Name:
(2S)-2-Amino-3,3-dimethyl-1-butanol
Synonyms:
1-Butanol,2-amino-3,3-dimethyl-,(2S)-;1-Butanol,2-amino-3,3-dimethyl-,(S)-;(2S)-2-Amino-3,3-dimethyl-1-butanol;(S)-tert-Leucinol;L-tert-Leucinol;(S)-2-Amino-3,3-dimethyl-1-butanol;(S)-(+)-tert-Leucinol;(S)-(+)-2-Amino-3,3-dimethylbutanol;(S)-2-Amino-3,3-dimethylbutanol;(2S)-2-Amino-3,3-dimethylbutan-1-ol
Categories:
Biochemical Engineering > Amino Acids and Derivatives

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Description

white crystalline low melting mass or

(2S)-2-Amino-3,3-dimethyl-1-butanol Basic Attributes

Molecular Weight：

117.19

Exact Mass：

117.19

HScode：

29221990

Characteristics

PSA：

46.2

XLogP3：

0.4

Appearance：

White or colorless Crystalline Low Melting Mass or Liquid

Density：

0.9 g/mL at 25 °C(lit.)

Melting Point：

31-33 °C

Boiling Point：

87-89 °C @ Press: 5 Torr

Flash Point：

194 °F

Refractive Index：

38 ° (C=1.5, EtOH)

Storage Conditions：

2-8°C

Vapor Pressure：

0.0906mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(2S)-2-Amino-3,3-dimethyl-1-butanol Use and Manufacturing

To a 100 mL Schlenk tube purged with nitrogen, 4.00 g (30.5 mmol) of (S)-tert-leucine and 20 mL of tetrahydrofuran were added and the inner temperature was adjusted to 10°C. To this suspension, 61.0 mL (61.0 mmol) of 1M borane-tetrahydrofuran complex was added dropwise over 30 minutes and the resulting mixture was stirred at the same temperature for 1 hour. After that, The mixture was heated to an inner temperature of 65°C and stirred at the same temperature for 4 hours. After the reaction mixture was cooled to 10°C, 8 mL of methanol was added dropwise thereto over 20 minutes. After reaction mixture was concentrated using an evaporator, 20 mL of 4M aqueous sodium hydroxide solution was added thereto and stirred at room temperature for 1 hour. Next, the extraction was conducted by adding 40 mL of tert-butyl methyl ether and the organic layer obtained was dehydrated over sodium sulfate. Sodium sulfate was removed by filtration and tert-butyl methyl ether was distilled away by atmospheric distillation. Further, 2.82 g of (S)-tert-leucinol was obtained as a fraction of 70 to 75°C by reduced-pressure distillation (0.3 kPa). Yield: 79percent.

Computed Properties

Molecular Weight:117.19
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:117.115364102
Monoisotopic Mass:117.115364102
Topological Polar Surface Area:46.2
Heavy Atom Count:8
Complexity:65.4
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of (2S)-2-Amino-3,3-dimethyl-1-butanol

LEADER BIOCHEMICAL GROUP Contact Supplier

CN
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China Most Professional Manufacturer Supply High Qulity L-Tert-Leucinol CAS 112245-13-3

CAS No.: 112245-13-3

Grade: Pharmaceutical Grade

Content: 99%

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HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

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Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

(S)-tert-Leucinol

CAS No.: 112245-13-3

Content: 99.00%

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Guide of (2S)-2-Amino-3,3-dimethyl-1-butanol

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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(2S)-2-Amino-3,3-dimethyl-1-butanol

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