ChemicalBook > CAS DataBase List > N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUOROALANINE

N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUOROALANINE

Product Name
N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUOROALANINE
CAS No.
10068-52-7
Chemical Name
N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUOROALANINE
Synonyms
2-(Cbz-amino)-3,3,3-trifluoropropanoic Acid;N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUOROALANINE;3,3,3-Trifluoro-N-[(phenylMethoxy)carbonyl]alanine;Alanine, 3,3,3-trifluoro-N-[(phenylmethoxy)carbonyl]-;3,3,3-trifluoro-2-(phenylmethoxycarbonylamino)propanoic acid;2-(((Benzyloxy)carbonyl)amino)-3,3,3-trifluoropropanoic acid
CBNumber
CB72454503
Molecular Formula
C11H10F3NO4
Formula Weight
277.2
MOL File
10068-52-7.mol
More
Less

N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUOROALANINE Property

Melting point:
112 °C
Boiling point:
401.3±45.0 °C(Predicted)
Density 
1.418±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
pka
2.35±0.10(Predicted)
Appearance
White to off-white Solid
InChI
InChI=1S/C11H10F3NO4/c12-11(13,14)8(9(16)17)15-10(18)19-6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,15,18)(H,16,17)
InChIKey
JBNIYYRTJUAMKZ-UHFFFAOYSA-N
SMILES
C(O)(=O)C(NC(OCC1=CC=CC=C1)=O)C(F)(F)F
More
Less

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

More
Less

N-Bromosuccinimide Price

TRC
Product number
T792640
Product name
3,3,3-Trifluoro-N-[(phenylmethoxy)carbonyl]alanine
Packaging
500mg
Price
$1540
Updated
2021/12/16
Medical Isotopes, Inc.
Product number
49087
Product name
3,3,3-Trifluoro-N-[(phenylmethoxy)carbonyl]alanine
Packaging
500mg
Price
$2400
Updated
2021/12/16
Activate Scientific
Product number
AS44618
Product name
2-(((Benzyloxy)carbonyl)amino)-3,3,3-trifluoropropanoic acid
Purity
97+%
Packaging
1g
Price
$1097
Updated
2021/12/16
Activate Scientific
Product number
AS44618
Product name
2-(((Benzyloxy)carbonyl)amino)-3,3,3-trifluoropropanoic acid
Purity
97+%
Packaging
250mg
Price
$537
Updated
2021/12/16
Activate Scientific
Product number
AS44618
Product name
2-(((Benzyloxy)carbonyl)amino)-3,3,3-trifluoropropanoic acid
Purity
97+%
Packaging
100mg
Price
$285
Updated
2021/12/16
More
Less

N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUOROALANINE Chemical Properties,Usage,Production

Uses

3,3,3-Trifluoro-N-[(phenylmethoxy)carbonyl]alanine, can be used for the synthesis of 3,3,3-Trifluoroalanine and of 3,3,3-Trifluoroalanyl peptides.

Synthesis

17463-43-3

501-53-1

10068-52-7

Sodium carbonate (1.90 g, 17.93 mmol) and benzyl chloroformate (624 mg, 3.65 mmol) were sequentially added to a mixed solution of 3,3,3-trifluoro-DL-alanine (475 mg, 3.32 mmol) in 1,4-dioxane (15 mL) and water (15 mL) at 0 °C. The reaction mixture was stirred at room temperature for 5 hours. After completion of the reaction, the pH of the reaction mixture was adjusted to 2-3 with 4 M hydrochloric acid solution. the reaction mixture was extracted with ethyl acetate (50 mL x 3). The organic phases were combined, washed with saturated sodium chloride solution and dried over anhydrous sodium sulfate. The solvent was removed by concentration under reduced pressure and the residue was purified by reversed-phase fast chromatography using gradient elution with acetonitrile-water (15% to 30%, 30 min) to afford N-Cbz-2-amino-3,3,3-trifluoropropionic acid (500 mg, 54%) as a white solid. Mass spectrum (MS): m/z = 276 [M-H]-.

References

[1] Patent: WO2017/106607, 2017, A1. Location in patent: Paragraph 00588
[2] Chemische Berichte, 1970, vol. 103, # 6, p. 1655 - 1708

N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUOROALANINE Preparation Products And Raw materials

Raw materials

Preparation Products

More
Less

N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUOROALANINE Suppliers

China 25 India 2 United States 1 Global 28
J & K SCIENTIFIC LTD.
Tel
18210857532; 18210857532
Fax
86-10-82849933
Email
jkinfo@jkchemical.com
Country
China
ProdList
96815
Advantage
76
Beijing Ouhe Technology Co., Ltd
Tel
13552068683 13522913783
Fax
+86-10-82967029
Email
2355560935@qq.com
Country
China
ProdList
11778
Advantage
60
Cochemical Ltd.
Tel
029-86115547 17791676824
Fax
02151602123
Email
sales@cochemical.com
Country
China
ProdList
3014
Advantage
58
Changzhou Hopschain Chemical Co.,Ltd.
Tel
85528066 13775048983
Fax
0519-85528066
Email
sales@hopschem.com
Country
China
ProdList
31553
Advantage
55
BePharm Ltd
Tel
400-685-9117
Fax
021-51816740
Email
market@bepharm.com
Country
China
ProdList
15081
Advantage
60
Cochemical Ltd.
Tel
029-86115547 17791676824
Fax
021-51602123
Email
sales@cochemical.com
Country
China
ProdList
6620
Advantage
58
Aikon International Limited
Tel
025-66113011 19370895928
Fax
(7)02557626880
Email
qzhang@aikonchem.com
Country
China
ProdList
15393
Advantage
58
3A Chemicals
Tel
400-668-9898
Fax
010-51582189
Email
service@3achem.com
Country
China
ProdList
20557
Advantage
58
Shanghai Jizhi Biochemical Technology Co. Ltd.
Tel
021-4009004166/18616739031 18616739031
Email
3007523370@qq.com
Country
China
ProdList
52678
Advantage
58
Shenzhen Polymeri Biochemical Technology Co., Ltd.
Tel
+86-400-002-6226 +86-13028896684;
Email
sales@rrkchem.com
Country
China
ProdList
57422
Advantage
58

10068-52-7, N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUOROALANINERelated Search:

2-([(BENZYLOXY)CARBONYL]AMINO)-3,3,3-TRIFLUORO-2-METHYLPROPANOIC ACID METHYL N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUOROALANINATE METHYL N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUORO-2-(1H-INDOL-3-YL)ALANINATE METHYL 2-([(BENZYLOXY)CARBONYL]AMINO)-2-(TRIFLUOROMETHYL)PENT-4-ENOATE METHYL 2-(ALLYL[(BENZYLOXY)CARBONYL]AMINO)-2-(TRIFLUOROMETHYL)HEX-5-ENOATE N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUORO-2-PHENYLALANINE METHYL 2-([(BENZYLOXY)CARBONYL]AMINO)-2-(TRIFLUOROMETHYL)PENT-4-YNOATE 2-([(BENZYLOXY)CARBONYL]AMINO)-2-(TRIFLUOROMETHYL)HEX-5-ENOIC ACID METHYL 2-([(BENZYLOXY)CARBONYL]AMINO)-2-(TRIFLUOROMETHYL)HEX-5-ENOATE METHYL 2-([(BENZYLOXY)CARBONYL]AMINO)-2-(TRIFLUOROMETHYL)BUT-3-YNOATE METHYL N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUORO-2-PHENYLALANINATE N-[(BENZYLOXY)CARBONYL]-ALPHA-(TRIFLUOROMETHYL)PHENYLALANINE METHYL 2-(ALLYL[(BENZYLOXY)CARBONYL]AMINO)-2-(TRIFLUOROMETHYL)BUT-3-YNOATE METHYL 2-(ALLYL[(BENZYLOXY)CARBONYL]AMINO)-2-(TRIFLUOROMETHYL)PENT-4-ENOATE METHYL 2-([(BENZYLOXY)CARBONYL]AMINO)-3,3,3-TRIFLUORO-2-METHYLPROPANOATE 2-([(BENZYLOXY)CARBONYL]AMINO)-2-(TRIFLUOROMETHYL)PENT-4-ENOIC ACID N-[(BENZYLOXY)CARBONYL]-A-(TRIFLUOROMETHYL)PHENYLALANINE METHYL N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUORO-2-(2-METHYL-1H-INDOL-3-YL)ALANINATE

  • N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUOROALANINE
  • 3,3,3-Trifluoro-N-[(phenylMethoxy)carbonyl]alanine
  • 2-(((Benzyloxy)carbonyl)amino)-3,3,3-trifluoropropanoic acid
  • 3,3,3-trifluoro-2-(phenylmethoxycarbonylamino)propanoic acid
  • Alanine, 3,3,3-trifluoro-N-[(phenylmethoxy)carbonyl]-
  • 2-(Cbz-amino)-3,3,3-trifluoropropanoic Acid
  • 10068-52-7