BOC-D-ABU-OH
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BOC-D-ABU-OH
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CAS No:
45121-22-0
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Formula:
C9H17NO4
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Chemical Name:
BOC-D-ABU-OH
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Synonyms:
BOC-D-NHCH(CH2CH3)-COOH;BOC-D-AMINOBUTYRIC ACID;BOC-D-ALPHA-ABU-OH;BOC-D-ALPHA-AMINOBUTYRIC ACID;BOC-D-ABU(2)-OH;BOC-D-ABU(ALPHA)-OH;BOC-D-ABU-OH;BOC-D-2-AMINOBUTYRIC ACID
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CAS No:
Characteristics
75.6
1.5
Yellow Liquid
1.101
334.5±25.0 °C(Predicted)
157.3±26.5 °C
1.476
Soluble in DMF (1mmol in 1ml DMF).
Store at RT.
4.00±0.10(Predicted)
Sealed in dry,2-8°C
Safety Information
IRRITANT
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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 3 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
BOC-D-ABU-OH Use and Manufacturing
[Step 1] L-2-aminobutyric acid (50 g) and aqueous sodium hydroxide (19.39 g of NaOH dissolved in 100 mL of water) were charged into a 2L round bottom flask. THE (100 mL) was added at 30 °C then the mass was cooled to 0 °C. BOO anhydride ((Boc)20, 171 .4 mL) was added at 0 °C and the reaction mass was stirred at 30 °C for 20 hours. The reaction mass was washed with a mixture of 50percent ethylacetate and n-Hexane (300 mL) and acidified with 2N aqueous HCI (280 mL). The reaction mass was saturated with sodium chloride (100 g) and extracted with ethylacetate (2x300 mL). The organic layer was washed with water (2x 200 mL) and brine solution (200 mL) and dried over anhydrous sodium sulphate (30 g) and concentrated completely under reduced pressure. The crude product obtained was co-evaporated with toluene (2 x 100 mL) to yield a colorless viscous liquid, which crystallized upon seeding to give the product (80 g) as a white solid.”Step A:
(R)-2-(Boc-amino)butyric acid is used in coupling reaction. Also used in preparation of dyes.
Computed Properties
Molecular Weight:203.24
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:203.11575802
Monoisotopic Mass:203.11575802
Topological Polar Surface Area:75.6
Heavy Atom Count:14
Complexity:219
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of BOC-D-ABU-OH
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CN
5 YRS
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