D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-fluoro-3-nitro-

Base Information

Chemical Name:D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-fluoro-3-nitro-
CAS No.:173775-54-7
Molecular Formula:C14H17FN2O6
Molecular Weight:328.297
Hs Code.:
DSSTox Substance ID:DTXSID80455973
Nikkaji Number:J1.360.165H
Wikidata:Q82278153

Synonyms:D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-fluoro-3-nitro-;173775-54-7;DTXSID80455973;N-boc-4-fluoro-3-nitro-d-phenylalanine;N-(tert-Butoxycarbonyl)-3-nitro-4-fluoro-D-phenylalanine

Suppliers and Price of D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-fluoro-3-nitro-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-fluoro-3-nitro-

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:328.10706443
Heavy Atom Count:23
Complexity:459

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)F)[N+](=O)[O-])C(=O)O
Isomeric SMILES:CC(C)(C)OC(=O)N[C@H](CC1=CC(=C(C=C1)F)[N+](=O)[O-])C(=O)O

Technology Process of D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-fluoro-3-nitro-

There total 16 articles about D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-fluoro-3-nitro- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

: 331731-26-1
(R)-N-(tert-butoxycarbonyl)-4-fluoro-3-nitrophenylalanine methyl ester

: 173775-54-7
(R)-N-(tert-butoxycarbonyl)-4-fluoro-3-nitrophenylalanine

Guidance literature:: With lithium hydroxide; In water; tert-butyl alcohol; at 0 ℃; for 0.5h;
DOI:10.1021/ja003835i

Reference yield:

: 42564-51-2
4-fluoro-3-nitrobenzaldehyde

: 173775-54-7
(R)-N-(tert-butoxycarbonyl)-4-fluoro-3-nitrophenylalanine

Guidance literature:: Multi-step reaction with 7 steps

1: NaBH₄ / methanol

2: PBr₃ / diethyl ether

3: 80 percent / N-benzylcinchoninium bromide, 50 percent aq. NaOH

4: methanolic HCl

5: SOCl₂

6: NaHCO₃ / tetrahydrofuran

7: K₂CO₃ / methanol; H₂O

With hydrogenchloride; sodium hydroxide; sodium tetrahydroborate; thionyl chloride; N-benzylcinchoninium bromide; phosphorus tribromide; sodium hydrogencarbonate; potassium carbonate; In tetrahydrofuran; methanol; diethyl ether; water;
DOI:10.1016/0040-4039(96)00459-5

Reference yield:

: 15017-52-4
4-(bromomethyl)-1-fluoro-2-nitrobenzene

: 173775-54-7
(R)-N-(tert-butoxycarbonyl)-4-fluoro-3-nitrophenylalanine

Guidance literature:: Multi-step reaction with 4 steps

1: 80 percent / n-BuLi; CuCN

2: 87 percent / TFA

3: 82 percent / NaHCO₃ / CH₂Cl₂ / 16 h / 25 °C

4: 100 percent / LiOH*H₂O / H₂O; 2-methyl-propan-2-ol / 0.5 h / 0 °C

With lithium hydroxide; n-butyllithium; sodium hydrogencarbonate; trifluoroacetic acid; In dichloromethane; water; tert-butyl alcohol; 1: Schollkopf alkylation;
DOI:10.1021/ja003835i