Home Cart Sign in  
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 39687-95-1 Chemical Structure| 39687-95-1

Structure of 39687-95-1

Chemical Structure| 39687-95-1

*Storage: {[sel_prStorage]}

*Shipping: {[sel_prShipping]}

,{[proInfo.pro_purity]}

4.5 *For Research Use Only !

{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]} Purity: {[proInfo.pro_purity]}

Change View

Size Price VIP Price

DE Stock

US Stock

Asia Stock

Global Stock

In Stock
{[ item.pr_size ]} Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}

  • {[ item.pr_size ]}

In Stock

- +

Please Login or Create an Account to: See VIP prices and availability

  • 1-2 Day Shipping
  • High Quality
  • Technical Support
Product Citations

Alternative Products

Product Details of [ 39687-95-1 ]

CAS No. :39687-95-1
Formula : C4H5NO2
M.W : 99.09
SMILES Code : O=C(OC)C[N+]#[C-]
MDL No. :MFCD00000006

Safety of [ 39687-95-1 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H312-H332-H314
Precautionary Statements:P280-P305+P351+P338-P310
Class:8(6.1)
UN#:2922
Packing Group:

Application In Synthesis of [ 39687-95-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 39687-95-1 ]

[ 39687-95-1 ] Synthesis Path-Downstream   1~14

  • 2
  • [ 104-53-0 ]
  • [ 3337-62-0 ]
  • [ 39687-95-1 ]
  • [2-(3,5-Dibromo-4-hydroxy-benzoylamino)-4-phenyl-butyrylamino]-acetic acid methyl ester [ No CAS ]
  • 3
  • [ 120-57-0 ]
  • [ 3337-62-0 ]
  • [ 39687-95-1 ]
  • [2-Benzo[1,3]dioxol-5-yl-2-(3,5-dibromo-4-hydroxy-benzoylamino)-acetylamino]-acetic acid methyl ester [ No CAS ]
  • 4
  • [ 3337-62-0 ]
  • [ 39687-95-1 ]
  • [ 99-61-6 ]
  • [2-(3,5-Dibromo-4-hydroxy-benzoylamino)-2-(3-nitro-phenyl)-acetylamino]-acetic acid methyl ester [ No CAS ]
  • 5
  • [ 3337-62-0 ]
  • [ 39687-95-1 ]
  • [ 100-52-7 ]
  • [2-(3,5-Dibromo-4-hydroxy-benzoylamino)-2-phenyl-acetylamino]-acetic acid methyl ester [ No CAS ]
  • 6
  • [ 3337-62-0 ]
  • [ 39687-95-1 ]
  • [ 123-38-6 ]
  • [2-(3,5-Dibromo-4-hydroxy-benzoylamino)-butyrylamino]-acetic acid methyl ester [ No CAS ]
  • 7
  • [ 3337-62-0 ]
  • [ 39687-95-1 ]
  • [ 6287-38-3 ]
  • [2-(3,5-Dibromo-4-hydroxy-benzoylamino)-2-(3,4-dichloro-phenyl)-acetylamino]-acetic acid methyl ester [ No CAS ]
  • 8
  • [ 3337-62-0 ]
  • [ 39687-95-1 ]
  • [ 5736-85-6 ]
  • [2-(3,5-Dibromo-4-hydroxy-benzoylamino)-2-(4-propoxy-phenyl)-acetylamino]-acetic acid methyl ester [ No CAS ]
  • 9
  • [ 3337-62-0 ]
  • [ 39687-95-1 ]
  • [ 2043-61-0 ]
  • [2-Cyclohexyl-2-(3,5-dibromo-4-hydroxy-benzoylamino)-acetylamino]-acetic acid methyl ester [ No CAS ]
  • 10
  • [ 1013-88-3 ]
  • [ 17191-44-5 ]
  • [ 39687-95-1 ]
  • {2-[(1-Benzyloxycarbonylamino-cyclopentanecarbonyl)-amino]-2,2-diphenyl-acetylamino}-acetic acid methyl ester [ No CAS ]
  • 11
  • [ 39687-95-1 ]
  • [ 22651-87-2 ]
  • 5-cyclohexyloxazole-4-carboxylic acid methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
75% With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 0 - 20℃; for 11h; Reference Example 1: Production of 2-cyclohexyl-1-methoxycarbonyl-2-oxo-ethylammonium; chloride; [Show Image] To DMF (N,N-dimethylformamide) (10.0 mL) solution of methylisocyanoate (3.11 g) and cyclohexanoic acid anhydride (8.20 g, 1.1 equivalent), DBU (1,8-diazabicyclo[5.4.0]-7-undecene) (4.7 mL, 1.0 equivalent) was added dropwise at 0C. After stirring at room temperature for 11 hours, the reaction solution was diluted with water, extracted with n-hexane-ethyl acetate (5:1), and the organic phase was separated. Then, the organic phase was washed with saturated salt water, 1 mol/L hydrochloric acid, saturated sodium hydrogen carbonate water and saturated salt water in that order, and then dried over anhydrous sodium sulfate. Then, precipitates were filtered, and the filtrate was concentrated under reduced pressure. The resulting crude product was recrystallized from n-hexane-ethyl acetate to obtain a product (5.00 g, 75%). Melting point: 97.5-101C IR (KBr) 2931, 2852, 1719, 1599, 1199 cm-1; 1H-NMR (400 MHz, CDCl3) δ 1.26-1.89 (m, 10H, c-Hex-CH2), 3.45-3.48 (m, 1H, c-Hex-H), 3.91 (s, 3H, CO2CH3) 7.74 (s, 1H, OCHN); 13C-NMR (100MHz, CDCl3) δ 25.7, 25.9, 30.6,35.4, 51.9, 125.2, 148.6, 162.6, 164.1; HRMS (FAB, NBA) Calcd. for C11H16NO3: 210.1130 (M++1). Found: 210.1119.
  • 12
  • [ 21345-01-7 ]
  • [ 39687-95-1 ]
  • [ 1421312-31-3 ]
YieldReaction ConditionsOperation in experiment
9 g With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 20℃; for 1.0h; Compounds 3 (6.0 g) and methyl isocyanoacetate (2.65 g) were dissolved in THF (60 mL). 3.54 g of DBU (CAS No. 6674-22-2) was added in drop-wise at room temperature and stirred for 1 hr. at room temperature. After extracted with ethyl acetate under alkaline conditions to remove the impurities, the pH value of the aqueous phase was adjusted to 3 with diluted HCL Extracted with ethyl acetate, washed with water and dried with anhydrous Na2S04 and fi ltered, the resulting organic phase was distilled on a rotary evaporator to obtain 9.0g of Compound 4.
9 g With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 20℃; for 1.0h; Compounds 3 (6.0 g) and methyl isocyanoacetate (2.65 g) were dissolved in THF (60 mL). 3.54 g of DBU (CAS No. 6674-22-2) was added in drop-wise at room temperature and stirred for 1 hr. at room temperature. After extracted with ethyl acetate under alkaline conditions to remove the impurities, the pH value of the aqueous phase was adjusted to 3 with diluted HCl. Extracted with ethyl acetate, washed with water and dried with anhydrous Na2SO4 and filtered, the resulting organic phase was distilled on a rotary evaporator to obtain 9.0 g of Compound 4.
9 g With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 20℃; for 1.0h; Compound 3 (6.0 g) and 2.65 g of methyl isocyanoacetate were dissolved in 60 ml of tetrahydrofuran and 3.54 g of DBU (CAS Registry No. 6674-22-2) was added dropwise at room temperature and stirred at room temperature 1 hourThe mixture was extracted with ethyl acetate to remove impurities. The aqueous phase was adjusted to pH = 3 with dilute hydrochloric acid, extracted with ethyl acetate, washed with water and dried over anhydrous Na2SO4. After removal of the solvent, 9.0 g of compound 4 was obtained.
  • 13
  • [ 39687-95-1 ]
  • [ 124840-61-5 ]
  • methyl 5-(5-bromo-2-nitrobenzyl)oxazole-4-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
68% General procedure: 1 equivalent of o-methoxy-/nitrophenylaceticacid and 1.2 equivalents of CDI were dissolved in 10 ml THF. The mixture wasstirred for 3 h at rt. To this mixture 1.1 equivalents of alpha-isocyano acetate and 1 equiv of NaHMDS (1 mmol) were added. It wasstirred over night at rt. The solvent was evaporated and the crude product wasdiluted in 50 ml ethyl acetetate. The solution was washed with water andconcentrated under reduced pressure. The crude product was purified by flashchromatography.
  • 14
  • [ 39687-95-1 ]
  • [ 14752-66-0 ]
  • methyl 2-((4-chlorophenylthio)carbonylamino)acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
67% With water; iodine; Dimethyl phosphite; In ethyl acetate; at 100℃; for 6h; Sodium p-chlorobenzenesulfinate (0.2 mmol), methyl isocyanacetate (0.4 mmol), water (0.6 mmol) were added sequentially to a 25 mL reaction tube at room temperature. Ethyl acetate (1.5 mL), molecular iodine (0.02 mmol), and dimethyl phosphite (0.4 mmol) were mixed well, and then stirred and reacted at 100 C for 6 h. After completion of the reaction by TLC, 2 mL of water was added, and then extracted three times with ethyl acetate (4 mL), and the extract was concentrated under vacuum under a vacuum of 0.08 MPa to give solvent. Then, it is washed with a mixed eluent of petroleum ether and ethyl acetate in a volume ratio of 5:1, and subjected to flash column chromatography on a silica gel column to obtain a thioamino group.Formate 67%, 34.7 mg white solid.
 

Historical Records