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Cas Database

Name	D-1-Naphthylalanine	EINECS	N/A
CAS No.	78306-92-0	Density	1.254 g/cm³
PSA	63.32000	LogP	2.49450
Solubility	N/A	Melting Point	N/A
Formula	C₁₃H₁₃NO₂	Boiling Point	412.3 °C at 760 mmHg
Molecular Weight	215.252	Flash Point	203.2 °C
Transport Information	N/A	Appearance	N/A
Safety	22-24/25	Risk Codes	22-24/25
Molecular Structure		Hazard Symbols	Xi
Synonyms	1-Naphthalenepropanoicacid, a-amino-, (R)-;3-(1-Naphthyl)-D-alanine;D-3-(1-Naphthyl)alanine;D-b-(1-Naphthyl)alanine;b-1-Naphthyl-D-alanine;H-D-1-Nal-OH;	Article Data	6

D-1-Naphthylalanine Synthetic route

: 161633-96-1
(R)-3-Naphthalen-1-yl-2-((4S,5R)-2-oxo-4,5-diphenyl-oxazolidin-3-yl)-propionic acid benzyl ester

: 78306-92-0
3-(1-naphthyl)-D-alanine

Conditions

Conditions	Yield
With hydrogen; palladium dihydroxide In tetrahydrofuran; methanol under 3102.9 Torr; for 19h;	89%

: 136086-24-3
(R)-2-Acetylamino-3-naphthalen-1-yl-propionic acid ethyl ester

: 78306-92-0
3-(1-naphthyl)-D-alanine

Conditions

Conditions	Yield
With hydrogenchloride for 2h; Heating;	55%

: 2-amino-3-naphthalen-1-yl-propionic acid tert-butyl ester; hydrochloride

A: 55516-54-6
L-1-naphthylalanine

B: 78306-92-0
3-(1-naphthyl)-D-alanine

Conditions

Conditions	Yield
With hydrogenchloride Heating;

: 5440-57-3
diethyl (N-acetylamino)[(1-naphthyl)methyl]malonate

: 78306-92-0
3-(1-naphthyl)-D-alanine

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 87 percent / 1 M NaOH / aq. ethanol / 6 h / Ambient temperature 2: 94 percent / 0.17 h / 160 °C 3: 96 percent 4: 55 percent / 6 N aq. HCl / 2 h / Heating View Scheme

: 136015-49-1
2-Acetylamino-2-naphthalen-1-ylmethyl-malonic acid monoethyl ester

: 78306-92-0
3-(1-naphthyl)-D-alanine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 94 percent / 0.17 h / 160 °C 2: 96 percent 3: 55 percent / 6 N aq. HCl / 2 h / Heating View Scheme

: 125761-75-3
2-Acetylamino-3-naphthalen-1-yl-propionic acid ethyl ester

: 78306-92-0
3-(1-naphthyl)-D-alanine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 96 percent 2: 55 percent / 6 N aq. HCl / 2 h / Heating View Scheme

: 3163-27-7
2-(bromomethyl)naphthalene

: 78306-92-0
3-(1-naphthyl)-D-alanine

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 90 percent / EtONa / ethanol / 6 h / Heating 2: 87 percent / 1 M NaOH / aq. ethanol / 6 h / Ambient temperature 3: 94 percent / 0.17 h / 160 °C 4: 96 percent 5: 55 percent / 6 N aq. HCl / 2 h / Heating View Scheme

: 28095-56-9
2-amino-3-(1-naphthyl)propanoic acid

A: 55516-54-6
L-1-naphthylalanine

B: 78306-92-0
3-(1-naphthyl)-D-alanine

Conditions

Conditions	Yield
With chiral stationary phase including isopropyl-functionalized CF6 In methanol; acetic acid; triethylamine; acetonitrile at 0℃; Purification / work up;

: 28095-56-9
2-amino-3-(1-naphthyl)propanoic acid

A: 62741-58-6
3-(naphthalene-1-yl)-2-oxopropanoic acid

B: 78306-92-0
3-(1-naphthyl)-D-alanine

Conditions

Conditions	Yield
With L-amino acid deaminase from Proteus myxofaciens; oxygen In aq. phosphate buffer pH=7; Kinetics; Enzymatic reaction;
With L-amino acid deaminase from Proteus myxofaciens F318A/V412A/V438P mutant In aq. phosphate buffer at 25℃; for 2h; pH=7.5; Kinetics; Reagent/catalyst; Concentration; Resolution of racemate; Enzymatic reaction;

: 78306-92-0
3-(1-naphthyl)-D-alanine

: 188346-51-2
(1S,3E)-5-<(2,5-dioxo-1-pyrrolidinyl)oxy>-1-<(1R,2E)-1-methyl-3-phenyl-2-propenyl>-5-oxo-3-pentenyl-(2S)-<3-<<(1,1-dimethylethoxy)carbonyl>amino>-2,2-dimethyl-1-oxopropoxy>-4-methylpentanoate

: 240428-62-0
N-<(1,1-dimethylethoxy)carbonyl>-2,2-dimethyl-β-alanyl-(2S)-2-hydroxy-4-(methylpentanoyl)-(2E,5S,6R,7E)-5-hydroxy-6-methyl-8-phenyl-2,7-octadienoyl-3-(1-naphthalenyl)-D-alanine

Conditions

Conditions	Yield
With N,O-bis-(trimethylsilyl)-acetamide In N,N-dimethyl-formamide at 55 - 60℃;	77%

D-1-Naphthylalanine Specification

The CAS register number of D-1-Naphthylalanine is 78306-92-0. It also can be called as 3-(1-Naphthyl)-D-alanine and the IUPAC name about this chemical is 2-amino-3-naphthalen-1-ylpropanoic acid. The molecular formula about this chemical is C₁₃H₁₃NO₂and the molecular weight is 215.25. It belongs to the following product categories, such as Amino Acids; PhenylAlAnine AnAlogs And other AromAtic AlphA Amino Acids; AlAnine [AlA, A]; UnusuAl Amino Acids; Amino hydrochloride; Amino Acids; I - Z; Modified Amino Acids; A-Amino and so on. This chemicasl can be stored at 2-8 °C. When you are using it, please avoid contact with skin and eyes and do not breathe dust.

Physical properties about D-1-Naphthylalanine are: (1)ACD/LogP: 2.34; (2)ACD/LogD (pH 5.5): -0.15; (3)ACD/LogD (pH 7.4): -0.16; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.42; (7)ACD/KOC (pH 7.4): 1.4; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 29.54Å²; (12)Index of Refraction: 1.66; (13)Molar Refractivity: 63.33 cm³; (14)Molar Volume: 171.5 cm³; (15)Polarizability: 25.1x10^-24cm³; (16)Surface Tension: 59.1 dyne/cm; (17)Enthalpy of Vaporization: 70.11 kJ/mol; (18)Boiling Point: 412.3 °C at 760 mmHg; (19)Vapour Pressure: 1.54E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)Cc2cccc1ccccc12
(2)InChI: InChI=1/C13H13NO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
(3)InChIKey: OFYAYGJCPXRNBL-LBPRGKRZBG
(4)Std. InChI: InChI=1S/C13H13NO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
(5)Std. InChIKey: OFYAYGJCPXRNBL-LBPRGKRZSA-N

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