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methyl 6-[(4-hydroxyphenyl)amino]-6-oxohexanoate

N-Benzyloxycarbonyl-L-valine

CAS: 1149-26-4

Molecular Formula: C13H17NO4

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methyl 6-[(4-hydroxyphenyl)amino]-6-oxohexanoate - Names and Identifiers

Name N-Benzyloxycarbonyl-L-valine
Synonyms Z-VAL
z-Val
Z-VAL-OH
Z-Val-OH
Z-VALINE
Z-L-Valine
Z-L-Val-OH
Z-L-VALINE
CBZ-VAL-OH
Z-L-VAL-OH
CBZ-L-VAL-OH
CBZ-L-VALINE
N-CBZ-L-Val-OH
N-CBZ-L-Valine
NA-CBZ-L-VALINE
CBZ-L-Valacyclovir
CARBOBENZYLOXY-L-VALINE
N-Cbz-L-valine Z-Val-OH
N-Carbobenzyloxy-L-valine
BENZYLOXYCARBONYL-L-VALINE
N-Benzyloxycarbonyl-L-valine
N-[(benzyloxy)carbonyl]valine
n-[(phenylmethoxy)carbonyl]-l-valin
CBZ-L-Valine (Z-Val-OH)
N-Carbobenzyloxy-L-valine Cbz-L-Valine
L-VALINE, N-[(PHENYLMETHOXY)CARBONYL]-
methyl 6-[(4-hydroxyphenyl)amino]-6-oxohexanoate
(2R)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate
(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate
CAS 1149-26-4
EINECS 214-562-1
InChI InChI=1/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)/p-1/t11-/m0/s1
InChIKey CANZBRDGRHNSGZ-NSHDSACASA-N

methyl 6-[(4-hydroxyphenyl)amino]-6-oxohexanoate - Physico-chemical Properties

Molecular FormulaC13H17NO4
Molar Mass251.28
Density0,926g/cm
Melting Point62-64°C(lit.)
Boling Point394.43°C (rough estimate)
Specific Rotation(α)-4 º (c=2,acetic acid)
Flash Point215.4°C
Solubility Soluble in water (16%,20 ℃), insoluble in ethanol, insoluble in ether.
Vapor Presure2.99E-08mmHg at 25°C
AppearanceWhite crystal
ColorWhite to off-white
BRN2056617
pKa4.00±0.10(Predicted)
Storage ConditionKeep in dark place,Sealed in dry,Room Temperature
Refractive Index-4.3 ° (C=2, AcOH)
MDLMFCD00008922
Physical and Chemical PropertiesWhite crystal. Melting point 55-61 ℃.
UseUsed as a drug Intermediate

methyl 6-[(4-hydroxyphenyl)amino]-6-oxohexanoate - Risk and Safety

Risk CodesR38 - Irritating to the skin
R43 - May cause sensitization by skin contact
R36/37/38 - Irritating to eyes, respiratory system and skin.
R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
Safety DescriptionS36/37 - Wear suitable protective clothing and gloves.
S36 - Wear suitable protective clothing.
S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany3
HS Code29242990
Hazard NoteIrritant

methyl 6-[(4-hydroxyphenyl)amino]-6-oxohexanoate - Reference Information

application CBZ-L-valine, also known as N-benzyloxycarbonyl-L-valine, is a valine protected by Cbz and is widely used in the field of drug synthesis.
preparation take 1.17Kg(10mol) of L-valine, 5L of 2mol/L sodium hydroxide solution and 1.06Kg(10mol) of sodium carbonate into a 20L reaction kettle, start stirring, after L-valine is completely dissolved, reduce the temperature of the solution to below 0 ℃, and drip 1 containing 2.05Kg(12mol) of benzyl chloroformate, 4-dioxane solution 5L, the temperature of the solution in the dropping process is kept below 20 ℃, after dropping, the reaction is 8h at room temperature. At the end of the reaction, the reaction liquid is extracted with dichloromethane 2.5L, the organic phase is discarded, the aqueous phase is cooled to below 10 ℃, concentrated hydrochloric acid is dropped until pH = 2, then stirred at 10 ℃ for 30min, a large amount of white solid is precipitated, filtration is carried out, the filter residue is washed with water, the white solid is put into a vacuum drying oven to dry, and the white CBZ-L-valine is 2.35Kg, the yield is 93.7%, and the purity is 99.6%(HPLC), the optical rotation value is -4.1 (C = 2, glacial acetic acid, T = 20 ℃).
chemical properties white crystal. Melting point 55-61 ℃.
use biochemical research
used for biochemical reagents, Valaciclovir or valaciclovir and other side chain synthesis, pressurizer and other peptides synthesis.
Used as a pharmaceutical intermediate
Last Update：2024-04-09 20:02:46
methyl 6-[(4-hydroxyphenyl)amino]-6-oxohexanoate
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Hefei TNJ Chemical Industry Co.,Ltd.
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CAS: 1149-26-4
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Hefei TNJ Chemical Industry Co.,Ltd.
Product Name: N-Benzyloxycarbonyl-L-valine Request for quotation
CAS: 1149-26-4
Tel: 0086-551-65418684
Email: sales@tnjchem.com
　　　　 info@tnjchem.com
Mobile: 0086 189 4982 3763
QQ: 2881500840 Click to send a QQ message
Wechat: 0086 189 4982 3763
WhatsApp: 0086 189 4982 3763
Product List: View Catalog
Shanghai Yuanye Bio-Technology Co., Ltd.
Spot supply
Product Name: N-CBZ-L-Valine Visit Supplier Webpage Request for quotation
CAS: 1149-26-4
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409 Click to send a QQ message
Wechat: 18301782025
Wuhan Boye Science And Technology Development Co., Ltd.
Product Name: N-Carbobenzyloxy-L-valine Request for quotation
CAS: 1149-26-4
Tel: 86-10-10086 81625225
Email: yeqim@boyechemicals.com
Mobile: 86-15387090420
QQ: 1377812380 Click to send a QQ message
Wechat: 15387090420
View History
methyl 6-[(4-hydroxyphenyl)amino]-6-oxohexanoate
Yunimakku HA
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