ChemicalBook >> CAS DataBase List >>tert-Butyl cyanoacetate

tert-Butyl cyanoacetate

tert-Butyl cyanoacetate structure

CAS No.: 1116-98-9

Chemical Name:: tert-Butyl cyanoacetate

Synonyms: tert-butyl 2-cyanoacetate;T-BUTYL CYANOACETATE;CYANOACETIC ACID TERT-BUTYL ESTER;Tert-butyl cyanoacet;ert-Butylcyanoacetate;TERT-BUTYL CYANOACETATE;Cyanoaceticacidbutylester;tert-ButylCyanoacetate>tert-butyl 2-cyanoethanoate;tert-Butyl cyanoacetate, 97%

CBNumber:: CB0725938

Molecular Formula:: C7H11NO2

Molecular Weight:: 141.17

MDL Number:: MFCD00001938

MOL File:: 1116-98-9.mol

MSDS File:: SDS

Last updated:2026-01-13 11:11:27

Product description	Number	Pack Size	Price
tert-Butyl cyanoacetate ≥97.0% (GC)	28440	10ML	$72.7
tert-Butyl Cyanoacetate >97.0%(GC)	C1441	25mL	$72
tert-Butyl Cyanoacetate >97.0%(GC)	C1441	250mL	$378
tert-Butyl Cyanoacetate	467170	5g	$312
tert-Butyl cyanoacetate	B694005	100g	$130
More product size

Request For Quotation

tert-Butyl cyanoacetate Properties

Boiling point	40-42 °C/0.1 mmHg (lit.)
Density	0.988 g/mL at 20 °C (lit.)
refractive index	n20/D 1.420
Flash point	91°C
storage temp.	2-8°C
solubility	Difficult to mix.
form	Oil
pka	3.21±0.10(Predicted)
color	Clear Colorless
BRN	1755933
InChI	InChI=1S/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H3
InChIKey	BFNYNEMRWHFIMR-UHFFFAOYSA-N
SMILES	C(OC(C)(C)C)(=O)CC#N
CAS DataBase Reference	1116-98-9(CAS DataBase Reference)
FDA UNII	PWT31M9VDL
EPA Substance Registry System	Acetic acid, cyano-, 1,1-dimethylethyl ester (1116-98-9)
UNSPSC Code	12352100
NACRES	NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)

GHS07

Signal word

Warning

Hazard statements

H227-H302-H315-H319

Precautionary statements

P210e-P280a-P301+P312a-P501a-P210-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501

PPE

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Hazard Codes

Risk Statements

Safety Statements

24/25

WGK Germany

10-21

TSCA

TSCA listed

HS Code

29269090

Storage Class

10 - Combustible liquids

NFPA 704

	2
2		0

tert-Butyl cyanoacetate price More Price(34)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
Sigma-Aldrich	28440	tert-Butyl cyanoacetate ≥97.0% (GC)	1116-98-9	10ML	$72.7	2026-03-19	Buy
TCI Chemical	C1441	tert-Butyl Cyanoacetate >97.0%(GC)	1116-98-9	25mL	$72	2026-03-19	Buy
TCI Chemical	C1441	tert-Butyl Cyanoacetate >97.0%(GC)	1116-98-9	250mL	$378	2026-03-19	Buy
Usbiological	467170	tert-Butyl Cyanoacetate	1116-98-9	5g	$312	2021-12-16	Buy
TRC	B694005	tert-Butyl cyanoacetate	1116-98-9	100g	$130	2021-12-16	Buy

Product number	Packaging	Price	Buy
28440	10ML	$72.7	Buy
C1441	25mL	$72	Buy
C1441	250mL	$378	Buy
467170	5g	$312	Buy
B694005	100g	$130	Buy

tert-Butyl cyanoacetate Chemical Properties,Uses,Production

Chemical Properties

Yellow liquid

Uses

tert-Butyl cyanoacetate is used in the synthesis of vinylogous urea and tert-butyl phenylcyanoacrylates. It is also used as a new additive for the sugar nucleoside base coupling step en route to DAPD with improved β-selectivity.

General Description

tert-Butyl cyanoacetate undergoes functionalization and decarboxylation to form 3-amino-4-alkyl isoquinolines.

Synthesis

tert-butyl cyanoacetate synthesis: 2-Cyanoacetic acid (1.701 g, 20 mmol) was suspended in a cetonitrile (20 ml) and tert-butanol (2.391 ml, 25.00 mmol). To this, a solution of N,N′-Dicyclohexylcarbodiimide (4.54 g, 22.00 mmol) in DCM (22 ml) was added under stirring at RT. The reaction mixture was stirred for 30 minutes, then filtered through Celite, and the solvents were evaporated. Proton NMR analysis of the residue showed complete conversion to the product. The product, tert-butyl cyanoacetate was not purified, but was taken straight through to the next reaction.
synthesis of tert-butyl cyanoacetate
1H NMR (400 MHz, CDCl 3 ) δ 3.37 (s, 2H), 1.50 (s, 9H).

Purification Methods

The IR spectrum of a film should have bands at 1742 (ester CO) and 2273 (CN), but no band at ca 3500 broad (OH) cm-1 . If it does not have the last-named band, then fractionally distil; otherwise dissolve in Et2O, wash with saturated aqueous NaHCO3, dry over K2CO3, evaporate Et2O, and distil the residue under a vacuum (see tert-butyl ethyl malonate for precautions to avoid decomposition during distillation). [Beech & Piggott J Chem Soc 423 1955, Dahn & Hauth Helv Chim Acta 42 1214 1959, Beilstein 2 I 255.]

References

[1] Patent: US2015/38466, 2015, A1. Location in patent: Paragraph 0500-0501
[2] Journal of Photochemistry and Photobiology A: Chemistry, 2013, vol. 272, p. 58 - 64
[3] Organic Letters, 2001, vol. 3, # 23, p. 3733 - 3735
[4] Journal of Organic Chemistry, 2002, vol. 67, # 25, p. 8975 - 8982
[5] Patent: TWI525093, 2016, B. Location in patent: Page/Page column 182; 183; 184

tert-Butyl cyanoacetate synthesis

Synthesis of tert-Butyl cyanoacetate from Cyanoacetic acid and tert-Butanol

tert-Butyl cyanoacetate Preparation Products And Raw materials

Raw materials

tert-Butyl chloroacetate POTASSIUM CYANIDE TETRAETHYLAMMONIUM CYANIDE Cyanoacetic acid Acetyl chloride, cyano-

Dicyclohexylcarbodiimide tert-Butanol Dichloromethane tert-Butyl bromoacetate Isobutylene

1of2

Preparation Products

3-Methoxybenzoylacetonitrile tert-butyl 3-aminopropanoate 2-CHLOROBENZOYLACETONITRILE

tert-Butyl cyanoacetate Suppliers

Global( 309)Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
Jiangsu Guiren Medicine Co.,Ltd	+86-13815020719	guiren_medicine@163.com	China	212	58
Hebei Chuanghai Biotechnology Co., Ltd	+8615350571055	Sibel@chuanghaibio.com	China	8738	58
Capot Chemical Co.,Ltd.	+86-（0）57185586718; +8613336195806	sales@capot.com	China	29640	60
Nanjing ChemLin Chemical Industry Co., Ltd.	025-83697070	product@chemlin.com.cn	CHINA	3009	60
career henan chemical co	+86-0371-86658258 +8613203830695	sales@coreychem.com	China	29822	58
Alchem Pharmtech,Inc.	8485655694	sales@alchempharmtech.com	United States	63687	58
CONIER CHEM AND PHARMA LIMITED	+8618523575427	sales@conier.com	China	49977	58
Hubei Ipure Biology Co., Ltd	+8613367258412	ada@ipurechemical.com	China	10236	58
Hefei TNJ Chemical Industry Co.,Ltd.	+86-0551-65418671 +8618949823763	sales@tnjchem.com	China	34563	58
ANHUI WITOP BIOTECH CO., LTD	+8615255079626	eric@witopchemical.com	China	23541	58

Supplier	Advantage
Jiangsu Guiren Medicine Co.,Ltd	58
Hebei Chuanghai Biotechnology Co., Ltd	58
Capot Chemical Co.,Ltd.	60
Nanjing ChemLin Chemical Industry Co., Ltd.	60
career henan chemical co	58
Alchem Pharmtech,Inc.	58
CONIER CHEM AND PHARMA LIMITED	58
Hubei Ipure Biology Co., Ltd	58
Hefei TNJ Chemical Industry Co.,Ltd.	58
ANHUI WITOP BIOTECH CO., LTD	58

Related Qustion

Ask a question

Q:What is the applications and reactions of tert-Butyl cyanoacetate?Zora - Dec 4，2025

A: T-butyl cyanoacetate (TBCA) is a very useful reaction reagent as a cyanomethylating agent, and is also a useful substance as an intermediate raw material for organic synthesis and production of pharmaceuticals and agricultural chemicals. tert-Butyl cyanoacetate undergoes functionalization and decarboxylation to form 3-amino-4-alkyl isoquinolines.

View Lastest Price from tert-Butyl cyanoacetate manufacturers

Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
2026-03-20	tert-Butyl cyanoacetate 1116-98-9	US $1.00 / kg	1kg	99%	10 mt	Hebei Chuanghai Biotechnology Co., Ltd
2025-11-19	tert-Butyl cyanoacetate 1116-98-9	US $0.00-0.00 / kg	1kg	98%	100tons	Shandong Vital Biotechnology Co., Ltd.
2025-04-04	tert-Butyl cyanoacetate 1116-98-9	US $0.00-0.00 / kg	1kg	98%	1Ton	Henan Aochuang Chemical Co.,Ltd.

tert-Butyl cyanoacetate
1116-98-9
US $1.00 / kg
99%
Hebei Chuanghai Biotechnology Co., Ltd

tert-Butyl cyanoacetate
1116-98-9
US $0.00-0.00 / kg
98%
Shandong Vital Biotechnology Co., Ltd.

tert-Butyl cyanoacetate
1116-98-9
US $0.00-0.00 / kg
98%
Henan Aochuang Chemical Co.,Ltd.

tert-Butyl cyanoacetate Spectrum

tert-Butyl cyanoacetate(1116-98-9)MS tert-Butyl cyanoacetate(1116-98-9)¹HNMR tert-Butyl cyanoacetate(1116-98-9)¹³CNMR tert-Butyl cyanoacetate(1116-98-9)IR1

1116-98-9(tert-Butyl cyanoacetate)Related Search:

Ethyl cyanoacetate Ethyl N-cyanoethanimideate Isobutyl cyanoacetate Ethyl cyanoformate Sodium cyanoborohydride

Vitamin B12 BENZYL CYANOACETATE Cyanomethanesulfonyl chloride Diethyl cyanomethylphosphonate 2-Octyl cyanoacetate

N-Carbethoxy-4-piperidone tert-Butyl acetoacetate tert-Butyl methyl ether tert-Butyl chloroacetate tert-Butyl bromoacetate

tert-Butyl carbazate tert-Butyl acrylate Cyanoacetic acid

1of4

TERT-BUTYL CYANOACETATE aceticacid,cyano-,1,1-dimethylethylester Cyanoaceticacidbutylester 3-Oxo-3-tert-butoxypropanenitrile Cyanoacetic acid 1,1-dimethylethyl ester Tert-butyl cyanoacet 2-cyanoacetic acid tert-butyl ester tert-butyl 2-cyanoethanoate tert-Butyl cyanoacetate tert-Butyl cyanoacetate >=97.0% (GC) t-Butylcyano acetate Bottom of Form Acetic acid, 2-cyano-,1,1-diMethylethyl ester tert-ButylCyanoacetate> ert-Butylcyanoacetate tert-Butyl cyanoacetate ISO 9001：2015 REACH Cyanoacetic acid t- butyl ester tert-Butyl cyanoacetate, 97% T-BUTYL CYANOACETATE CYANOACETIC ACID TERT-BUTYL ESTER tert-butyl 2-cyanoacetate 1116-98-9 CNCH2COOC4H9 NCCH2COOCCH33 NCCH2CO2CCH33 C7H10NO2 Organic Building Blocks Building Blocks Carbonyl Compounds C6 to C7 Esters C6 to C7 Carbonyl Compounds Esters 1