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467442-20-2

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Basic Information
CAS No.: 467442-20-2
Name: (S)-2-(tert-butoxycarbonylamino)-4,4-difluorobutanoic acid
Molecular Structure:
Molecular Structure of 467442-20-2 ((S)-2-(tert-butoxycarbonylamino)-4,4-difluorobutanoic acid)
Formula: C9H15F2NO4
Molecular Weight: 239.219
Synonyms: (S)-2-(tert-Butoxycarbonylamino)-4,4-difluorobutanoic acid;
Density: 1.222 g/cm3
Boiling Point: 348.1 °C at 760 mmHg
Flash Point: 164.3 °C
PSA: 75.63000
LogP: 2.01040
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Synthetic route
24424-99-5

di-tert-butyl dicarbonate

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α-amino-γ,γ-difluorobutyrate

467442-20-2

2-[(tert-butoxycarbonyl)amino]-4,4-difluorobutanoic acid

Conditions
ConditionsYield
With triethylamine
467442-20-2

2-[(tert-butoxycarbonyl)amino]-4,4-difluorobutanoic acid

18107-18-1

diazomethyl-trimethyl-silane

methyl 2-[(tert-butoxycarbonyl)amino]-4,4-difluorobutanoate

Conditions
ConditionsYield
In methanol; toluene at 0℃; for 3h; Sealed tube; Inert atmosphere;47%
2491-20-5

L-alanine methyl ester hydrochloride

467442-20-2

2-[(tert-butoxycarbonyl)amino]-4,4-difluorobutanoic acid

(S)-2-((S)-2-tert-Butoxycarbonylamino-4,4-difluoro-butyrylamino)-propionic acid methyl ester

Conditions
ConditionsYield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane
607403-53-2

2,5-difluoro-4-t-butoxycarbonylphenethylamine

467442-20-2

2-[(tert-butoxycarbonyl)amino]-4,4-difluorobutanoic acid

4-[2-(2-tert-butoxycarbonylamino-4,4-difluoro-butyrylamino)-ethyl]-3,5-difluoro-benzoic acid tert-butyl ester

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane
467442-20-2

2-[(tert-butoxycarbonyl)amino]-4,4-difluorobutanoic acid

(E)-3-[3-(2-Amino-ethyl)-phenyl]-acrylic acid ethyl ester

(E)-3-{3-[2-((S)-2-tert-Butoxycarbonylamino-4,4-difluoro-butyrylamino)-ethyl]-phenyl}-acrylic acid ethyl ester

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane
467442-20-2

2-[(tert-butoxycarbonyl)amino]-4,4-difluorobutanoic acid

2-[3-(2-amino-ethyl)-phenylamino]-butyric acid methyl ester

2-{3-[2-(2-tert-butoxycarbonylamino-4,4-difluoro-butyrylamino)-ethyl]-phenylamino}-butyric acid methyl ester

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane
467442-20-2

2-[(tert-butoxycarbonyl)amino]-4,4-difluorobutanoic acid

(E)-3-[3-(2-Amino-ethyl)-4-fluoro-phenyl]-acrylic acid ethyl ester

(E)-3-{3-[2-((S)-2-tert-Butoxycarbonylamino-4,4-difluoro-butyrylamino)-ethyl]-4-fluoro-phenyl}-acrylic acid ethyl ester

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane
467442-20-2

2-[(tert-butoxycarbonyl)amino]-4,4-difluorobutanoic acid

[3-(2-amino-ethyl)-phenoxy]-phenyl-acetic acid methyl ester

{3-[2-(2-tert-butoxycarbonylamino-4,4-difluoro-butyrylamino)-ethyl]-phenoxy}-phenyl-acetic acid methyl ester

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane
467442-20-2

2-[(tert-butoxycarbonyl)amino]-4,4-difluorobutanoic acid

467438-35-3

2-[2,6-difluoro-4-(2H-tetrazol-5-yl)-phenyl]-ethylamine

(1-{2-[2,6-difluoro-4-(2H-tetrazol-5-yl)-phenyl]-ethylcarbamoyl}-3,3-difluoro-propyl)-carbamic acid tert-butyl ester

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane
467442-20-2

2-[(tert-butoxycarbonyl)amino]-4,4-difluorobutanoic acid

467438-38-6

2-[3-(2-amino-ethyl)-2,4-difluoro-phenoxy]-propionic acid methyl ester

2-{3-[2-(2-tert-butoxycarbonylamino-4,4-difluoro-butyrylamino)-ethyl]-phenoxy}-propionic acid methyl ester

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane
Raw Materials
24424-99-5
121960-22-3
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Specification

The (S)-2-(tert-Butoxycarbonylamino)-4,4-difluorobutanoic acid, its cas register number is 467442-20-2. It also can be called as Butanoic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-4,4-difluoro-, (2S)- and the Systematic name about this chemicals is (2S)-2-(tert-butoxycarbonylamino)-4,4-difluoro-butanoic acid.

Following are the chemical properties about (S)-2-(tert-Butoxycarbonylamino)-4,4-difluorobutanoic acid: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 75.63Å2; (5)Index of Refraction: 1.433; (6)Molar Refractivity: 50.88 cm3; (7)Molar Volume: 195.7 cm3; (8)Polarizability: 20.17x10-24cm3; (9)Surface Tension: 34.2 dyne/cm; (10)Enthalpy of Vaporization: 65.1 kJ/mol; (11)Boiling Point: 348.1 °C at 760 mmHg; (12)Vapour Pressure: 8.96E-06 mmHg at 25°C.

If you want to store this chemical, please keep containers tightly sealed, and store in cool, dry place in tightly closed containers, also ensure good ventilation/exhaustion at the workplace. There are some first aid measures: (1)Inhalation: supply fresh air, if required, provide artificial respiration and keep patient warm. (2)Skin contact: seek immediate medical advice and instantly wash with water, soap and rinse thoroughly.

This chemical can be described computed from structure:
(1)SMILES: CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)O
(2)InChI: InChI=1/C9H15F2NO4/c1-9(2,3)16-8(15)12-5(7(13)14)4-6(10)11/h5-6H,4H2,1-3H3,(H,12,15)(H,13,14)/t5-/m0/s1
(3)InChIKey: UCCLBCNDXKDPDT-YFKPBYRVBC
(4)Std. InChI: InChI=1S/C9H15F2NO4/c1-9(2,3)16-8(15)12-5(7(13)14)4-6(10)11/h5-6H,4H2,1-3H3,(H,12,15)(H,13,14)/t5-/m0/s1
(5)Std. InChIKey: UCCLBCNDXKDPDT-YFKPBYRVSA-N