3-Aminophenylacetic acid, N-BOC protected
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3-Aminophenylacetic acid, N-BOC protected
structure -
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CAS No:
123036-51-1
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Formula:
C13H17NO4
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Chemical Name:
3-Aminophenylacetic acid, N-BOC protected
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Synonyms:
3-Aminophenylacetic acid, N-BOC protected;N-BOC-3-AMINOPHENYLACETIC ACID;2-(3-((tert-Butoxycarbonyl)aMino)phenyl)acetic acid;3-(Boc-aMino)phenylacetic acid;tert-Butyl [3-(carboxymethyl)phenyl]carbamate, 3-(Carboxymethyl)aniline, N-BOC protected;Benzeneacetic acid,3-[[(1,1-diMethylethoxy)carbonyl]aMino]-;3-[[(1,1-dimethylethoxy)carbonyl]amino]Benzeneacetic acid
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CAS No:
3-Aminophenylacetic acid, N-BOC protected Basic Attributes
251.28
251.115753
DTXSID80375440
29225090
Safety Information
IRRITANT
Xi
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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Aminophenylacetic acid, N-BOC protected Use and Manufacturing
A solution of 3-aminophenylacetic acid (12, 4g, 26.46 mmol, 1 equiv.) in a mixture of dioxane (52 mL) and water (52 mL), and sodium carbonate(2.8 g, 26.42 mmol, 1 equiv., in 26 mL of water) was stirred and cooled in an ice bath. Di-tert-butyldicarbonate (BOC-anhydride, 6.24 g, 28.59 mmol, 1.1 equiv.) was added in one portion, and stirringwas continued at room temperature for 4 h. The dioxane was removed in vacuo and the aqueouslayer chilled, covered with a layer of ethyl acetate, and acidified to pH 4 with dilute KHSO4. This wasfollowed by extraction (ethyl acetate) and purification by a filtration on silica with dichloromethanefollowed by ethyl acetate to yield the compound 13 (Scheme 8; 6.65 g; 85percent) of a white solid. 1H-NMR(300 MHz, CDCl3): 7.31 (d, 2H, J = 8.4 Hz), 7.20 (d, 2H, J = 8.4 Hz), 6.56 (br s, 1H), 3.59 (s, 2H), 1.5 (s, 9H).
Computed Properties
Molecular Weight:251.28
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:251.11575802
Monoisotopic Mass:251.11575802
Topological Polar Surface Area:75.6
Heavy Atom Count:18
Complexity:309
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 3-Aminophenylacetic acid, N-BOC protected
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Business licensed Certified factoryManufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acidInquiryCAS No.: 123036-51-1Grade: Industrial GradeContent: 95%
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3-Aminophenylacetic acid, N-BOC protected
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